{"id":9170,"date":"2026-07-09T23:11:14","date_gmt":"2026-07-09T14:11:14","guid":{"rendered":"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/?p=9170"},"modified":"2026-07-09T23:11:29","modified_gmt":"2026-07-09T14:11:29","slug":"%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3","status":"publish","type":"post","link":"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/","title":{"rendered":"\u5468\u671f\u6027\u6750\u6599\u306b\u5bfe\u3059\u308b\u5909\u5206\u91cf\u5b50\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3"},"content":{"rendered":"<div class=\"taxonomy-post_tag wp-block-post-terms\"><a href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/tag\/vqe\/\" rel=\"tag\">VQE<\/a><span class=\"wp-block-post-terms__separator\">, <\/span><a href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/tag\/%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e5%9b%9e%e8%b7%af\/\" rel=\"tag\">\u5909\u5206\u91cf\u5b50\u56de\u8def<\/a><span class=\"wp-block-post-terms__separator\">, <\/span><a href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/tag\/%e7%ac%ac%e4%b8%80%e5%8e%9f%e7%90%86%e8%a8%88%e7%ae%97\/\" rel=\"tag\">\u7b2c\u4e00\u539f\u7406\u8a08\u7b97<\/a><span class=\"wp-block-post-terms__separator\">, <\/span><a href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/tag\/%e9%87%8f%e5%ad%90%e3%82%b3%e3%83%b3%e3%83%94%e3%83%a5%e3%83%bc%e3%82%bf\/\" rel=\"tag\">\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf<\/a><span class=\"wp-block-post-terms__separator\">, <\/span><a href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/tag\/%e9%87%8f%e5%ad%90%e5%8a%9b%e5%ad%a6\/\" rel=\"tag\">\u91cf\u5b50\u529b\u5b66<\/a><\/div>\n\n\n<div id=\"ez-toc-container\" class=\"ez-toc-v2_0_85 counter-hierarchy ez-toc-counter ez-toc-white ez-toc-container-direction\">\n<div class=\"ez-toc-title-container\">\n<p class=\"ez-toc-title ez-toc-toggle\" style=\"cursor:pointer\">Table of Contents<\/p>\n<span class=\"ez-toc-title-toggle\"><a href=\"#\" class=\"ez-toc-pull-right ez-toc-btn ez-toc-btn-xs ez-toc-btn-default ez-toc-toggle\" aria-label=\"Toggle Table of Content\"><span class=\"ez-toc-js-icon-con\"><span class=\"\"><span class=\"eztoc-hide\" style=\"display:none;\">Toggle<\/span><span class=\"ez-toc-icon-toggle-span\"><svg style=\"fill: #999;color:#999\" xmlns=\"http:\/\/www.w3.org\/2000\/svg\" class=\"list-377408\" width=\"20px\" height=\"20px\" viewBox=\"0 0 24 24\" fill=\"none\"><path d=\"M6 6H4v2h2V6zm14 0H8v2h12V6zM4 11h2v2H4v-2zm16 0H8v2h12v-2zM4 16h2v2H4v-2zm16 0H8v2h12v-2z\" fill=\"currentColor\"><\/path><\/svg><svg style=\"fill: #999;color:#999\" class=\"arrow-unsorted-368013\" xmlns=\"http:\/\/www.w3.org\/2000\/svg\" width=\"10px\" height=\"10px\" viewBox=\"0 0 24 24\" 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href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#%E6%A6%82%E8%A6%81\" >\u6982\u8981<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-3\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#%E8%83%8C%E6%99%AF\" >\u80cc\u666f<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-4\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#%E6%89%8B%E6%B3%95\" >\u624b\u6cd5<\/a><ul class='ez-toc-list-level-3' ><li class='ez-toc-heading-level-3'><a class=\"ez-toc-link ez-toc-heading-5\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#VQE%E3%81%AE%E3%82%A2%E3%83%AB%E3%82%B4%E3%83%AA%E3%82%BA%E3%83%A0%E3%81%AB%E3%81%A4%E3%81%84%E3%81%A6\" >VQE\u306e\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u306b\u3064\u3044\u3066<\/a><ul class='ez-toc-list-level-4' ><li class='ez-toc-heading-level-4'><a class=\"ez-toc-link ez-toc-heading-6\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#1_ansatz%E3%81%AE%E6%A7%8B%E6%88%90\" >1. ansatz\u306e\u69cb\u6210<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-4'><a class=\"ez-toc-link ez-toc-heading-7\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#2_%E3%82%A8%E3%83%8D%E3%83%AB%E3%82%AE%E3%83%BC%E6%9C%9F%E5%BE%85%E5%80%A4%E3%82%92%E6%B8%AC%E5%AE%9A%E3%81%99%E3%82%8B\" >2. \u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u3092\u6e2c\u5b9a\u3059\u308b<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-4'><a class=\"ez-toc-link ez-toc-heading-8\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#3_%E5%8F%A4%E5%85%B8%E3%82%B3%E3%83%B3%E3%83%94%E3%83%A5%E3%83%BC%E3%82%BF%E3%81%A7%E3%83%91%E3%83%A9%E3%83%A1%E3%83%BC%E3%82%BF%E3%82%92%E6%9C%80%E9%81%A9%E5%8C%96%E3%81%99%E3%82%8B\" >3. \u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3067\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u6700\u9069\u5316\u3059\u308b<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-4'><a class=\"ez-toc-link ez-toc-heading-9\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#4_%E5%8F%8E%E6%9D%9F%E3%81%99%E3%82%8B%E3%81%BE%E3%81%A7%E5%8F%8D%E5%BE%A9%E3%81%99%E3%82%8B\" >4. \u53ce\u675f\u3059\u308b\u307e\u3067\u53cd\u5fa9\u3059\u308b<\/a><\/li><\/ul><\/li><\/ul><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-10\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#%E7%B5%90%E6%9E%9C\" >\u7d50\u679c<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-11\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#%E3%81%BE%E3%81%A8%E3%82%81\" >\u307e\u3068\u3081<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-12\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#%E5%8F%82%E8%80%83%E6%96%87%E7%8C%AE\" >\u53c2\u8003\u6587\u732e<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-13\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#Appendex_A\" >Appendex A<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-14\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#Appendex_B\" >Appendex B<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-15\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#%E3%82%AD%E3%83%BC%E3%83%AF%E3%83%BC%E3%83%89%E3%81%BE%E3%81%A8%E3%82%81\" >\u30ad\u30fc\u30ef\u30fc\u30c9\u307e\u3068\u3081<\/a><\/li><li class='ez-toc-page-1 ez-toc-heading-level-2'><a class=\"ez-toc-link ez-toc-heading-16\" href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/2026\/07\/09\/%e5%91%a8%e6%9c%9f%e6%80%a7%e6%9d%90%e6%96%99%e3%81%ab%e5%af%be%e3%81%99%e3%82%8b%e5%a4%89%e5%88%86%e9%87%8f%e5%ad%90%e3%82%b7%e3%83%9f%e3%83%a5%e3%83%ac%e3%83%bc%e3%82%b7%e3%83%a7%e3%83%b3\/#%E3%81%82%E3%81%A8%E3%81%8C%E3%81%8D\" >\u3042\u3068\u304c\u304d<\/a><\/li><\/ul><\/nav><\/div>\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E6%96%87%E7%8C%AE%E6%83%85%E5%A0%B1\"><\/span>\u6587\u732e\u60c5\u5831<span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<ul class=\"wp-block-list\">\n<li>\u30bf\u30a4\u30c8\u30eb\uff1a Variational quantum simulation for periodic materials<\/li>\n\n\n\n<li>\u8457\u8005\uff1aNobuyuki Yoshida, Takeshi Sato, Yuya O. Nakagawa, Yu-ya Ohnishi, Wataru Mizukami<\/li>\n\n\n\n<li>\u66f8\u8a8c\u60c5\u5831(DOI)\uff1a<a href=\"https:\/\/doi.org\/10.1103\/PhysRevResearch.4.013052\">https:\/\/doi.org\/10.1103\/PhysRevResearch.4.013052<\/a><\/li>\n\n\n\n<li>\u51fa\u7248\u5e74\uff1a2022\u5e741\u6708<\/li>\n<\/ul>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E6%A6%82%E8%A6%81\"><\/span>\u6982\u8981<span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u7269\u8cea\u306e\u96fb\u5b50\u72b6\u614b\u3092\u6c42\u3081\u308b\u3053\u3068\u304c\u3067\u304d\u308c\u3070\u3001\u8a98\u96fb\u7387\u3001\u30d0\u30f3\u30c9\u30ae\u30e3\u30c3\u30d7\u3001\u5149\u5438\u53ce\u7279\u6027\u306a\u3069\u3001\u3055\u307e\u3056\u307e\u306a\u7269\u6027\u5024\u3092\u7406\u8ad6\u7684\u306b\u8a55\u4fa1\u3067\u304d\u308b\u3002\u96fb\u5b50\u72b6\u614b\u3092\u8a18\u8ff0\u3059\u308b\u57fa\u672c\u65b9\u7a0b\u5f0f\u306f\u30b7\u30e5\u30ec\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f\u3067\u3042\u308b\u304c\u3001\u591a\u6570\u306e\u96fb\u5b50\u3092\u542b\u3080\u5b9f\u969b\u306e\u539f\u5b50\u30fb\u5206\u5b50\u30fb\u56fa\u4f53\u306b\u5bfe\u3057\u3066\u3053\u308c\u3092\u53b3\u5bc6\u306b\u89e3\u304f\u3053\u3068\u306f\u6975\u3081\u3066\u56f0\u96e3\u3067\u3042\u308b\u3002\u305d\u306e\u305f\u3081\u3001\u5b9f\u7528\u7684\u306a\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u3067\u306f\u3001\u6ce2\u52d5\u95a2\u6570\u3084\u96fb\u5b50\u5bc6\u5ea6\u306b\u5bfe\u3057\u3066\u4f55\u3089\u304b\u306e\u8fd1\u4f3c\u3092\u5c0e\u5165\u3057\u3001\u8a08\u7b97\u53ef\u80fd\u306a\u5f62\u306b\u5b9a\u5f0f\u5316\u3059\u308b\u5fc5\u8981\u304c\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u7d4c\u9a13\u7684\u30d1\u30e9\u30e1\u30fc\u30bf\u306b\u983c\u3089\u305a\u3001\u91cf\u5b50\u529b\u5b66\u306e\u57fa\u672c\u6cd5\u5247\u306b\u57fa\u3065\u3044\u3066\u96fb\u5b50\u72b6\u614b\u3084\u5168\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u6c42\u3081\u308b\u8a08\u7b97\u624b\u6cd5\u306f\u3001\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068\u547c\u3070\u308c\u308b\u3002\u4ee3\u8868\u7684\u306a\u624b\u6cd5\u3068\u3057\u3066\u3001Hartree\u2013Fock\u6cd5\u3001\u5bc6\u5ea6\u6c4e\u95a2\u6570\u7406\u8ad6\uff08Density Functional Theory: DFT\uff09\u3001M\u00f8ller\u2013Plesset\u6442\u52d5\u8ad6\uff08MP2\u6cd5\uff09\u3001\u7d50\u5408\u30af\u30e9\u30b9\u30bf\u30fc\u6cd5\uff08Coupled Cluster: CC\u6cd5\uff09\u3001\u5168\u914d\u7f6e\u9593\u76f8\u4e92\u4f5c\u7528\u6cd5\uff08Full Configuration Interaction: Full CI\u6cd5\uff09\u306a\u3069\u304c\u3042\u308b\u3002\u3053\u308c\u3089\u306e\u624b\u6cd5\u306f\u3001\u7269\u8cea\u8a2d\u8a08\u3001\u6750\u6599\u958b\u767a\u3001\u7269\u6027\u4e88\u6e2c\u306a\u3069\u306e\u5206\u91ce\u3067\u5e83\u304f\u7528\u3044\u3089\u308c\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u8fd1\u5e74\u3067\u306f\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3092\u7528\u3044\u305f\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u624b\u6cd5\u3068\u3057\u3066\u3001Variational Quantum Eigensolver\uff08VQE\uff09\u304c\u6ce8\u76ee\u3055\u308c\u3066\u3044\u308b\u3002VQE\u306f\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u30d1\u30e9\u30e1\u30fc\u30bf\u5316\u3055\u308c\u305f\u8a66\u884c\u6ce2\u52d5\u95a2\u6570\u3092\u751f\u6210\u3057\u3001\u305d\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u3092\u6e2c\u5b9a\u3059\u308b\u4e00\u65b9\u3067\u3001\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3092\u7528\u3044\u3066\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u6700\u9069\u5316\u3059\u308b\u91cf\u5b50\u2013\u53e4\u5178\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u3067\u3042\u308b\u3002\u7279\u306b\u3001\u53e4\u5178\u8a08\u7b97\u3067\u6271\u3044\u304c\u96e3\u3057\u3044\u5f37\u76f8\u95a2\u96fb\u5b50\u7cfb\u306b\u5bfe\u3057\u3066\u3001\u6709\u671b\u306a\u624b\u6cd5\u3068\u3057\u3066\u7814\u7a76\u304c\u9032\u3081\u3089\u308c\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u672c\u8a18\u4e8b\u3067\u53d6\u308a\u4e0a\u3052\u308b\u8ad6\u6587\u3067\u306f\u3001\u5468\u671f\u7684\u306a\u4e00\u6b21\u5143\u6c34\u7d20\u9396\u3092\u5bfe\u8c61\u3068\u3057\u3066\u3001\u5f37\u76f8\u95a2\u9818\u57df\u306b\u304a\u3051\u308b\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30a8\u30cd\u30eb\u30ae\u30fc\u66f2\u7dda\u306e\u8a08\u7b97\u3092\u884c\u3063\u3066\u3044\u308b\u3002\u53e4\u5178\u7684\u306a\u8fd1\u4f3c\u624b\u6cd5\u3067\u306f\u7cbe\u5ea6\u304c\u4f4e\u4e0b\u3057\u3084\u3059\u3044\u9818\u57df\u306b\u304a\u3044\u3066\u3001VQE\u306b\u57fa\u3065\u304fUCCSD\u578b\u306e\u624b\u6cd5\u304cFull CI\u306b\u8fd1\u3044\u7cbe\u5ea6\u3092\u793a\u3059\u3053\u3068\u304c\u5831\u544a\u3055\u308c\u3066\u3044\u308b\u3002\u672c\u8a18\u4e8b\u3067\u306f\u3001\u305d\u306e\u8a08\u7b97\u624b\u6cd5\u306e\u6982\u8981\u3068\u8ad6\u6587\u306e\u7d50\u679c\u306b\u3064\u3044\u3066\u89e3\u8aac\u3059\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E8%83%8C%E6%99%AF\"><\/span>\u80cc\u666f<span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u91cf\u5b50\u591a\u4f53\u7cfb\u306e\u96fb\u5b50\u72b6\u614b\u3092\u6c42\u3081\u308b\u969b\u306b\u306f\u3001\u5bfe\u8c61\u3068\u3059\u308b\u7cfb\u306e\u60c5\u5831\u3092\u542b\u3093\u3060\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u3092\u5b9a\u7fa9\u3057\u3001\u305d\u306e\u56fa\u6709\u5024\u554f\u984c\u3092\u89e3\u304f\u3053\u3068\u3067\u30a8\u30cd\u30eb\u30ae\u30fc\u56fa\u6709\u5024\u3068\u5bfe\u5fdc\u3059\u308b\u56fa\u6709\u72b6\u614b\u3092\u5f97\u308b\u3001\u3068\u3044\u3046\u30a2\u30d7\u30ed\u30fc\u30c1\u3092\u3068\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u6642\u9593\u306b\u4f9d\u5b58\u3057\u306a\u3044\u30b7\u30e5\u30ec\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\hat{H}\\ket{\\psi_n}=E_n\\ket{\\psi_n}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u8868\u3055\u308c\u308b\u3002\u3053\u3053\u3067\u3001$\\hat{H}$ \u306f\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u3001$\\ket{\\psi_n}$ \u306f\u56fa\u6709\u72b6\u614b\u3001$E_n$ \u306f\u5bfe\u5fdc\u3059\u308b\u30a8\u30cd\u30eb\u30ae\u30fc\u56fa\u6709\u5024\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3057\u304b\u3057\u3001\u591a\u6570\u306e\u96fb\u5b50\u3092\u542b\u3080\u7cfb\u3067\u306f\u3001\u6ce2\u52d5\u95a2\u6570\u306f\u591a\u6570\u306e\u7c92\u5b50\u5ea7\u6a19\u306b\u4f9d\u5b58\u3059\u308b\u9ad8\u6b21\u5143\u306e\u95a2\u6570\u3068\u306a\u308b\u3002\u96fb\u5b50\u6570\u3092 N \u3068\u3059\u308b\u3068\u3001\u7a7a\u9593\u5ea7\u6a19\u3060\u3051\u3067\u3082 3N \u6b21\u5143\u306e\u81ea\u7531\u5ea6\u3092\u3082\u3064\u305f\u3081\u3001\u30b7\u30e5\u30ec\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f\u3092\u53b3\u5bc6\u306b\u89e3\u304f\u3053\u3068\u306f\u4e00\u822c\u306b\u56f0\u96e3\u3067\u3042\u308b\u3002\u3057\u305f\u304c\u3063\u3066\u3001\u5b9f\u969b\u306e\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u3067\u306f\u3001\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u3001\u6ce2\u52d5\u95a2\u6570\u3001\u96fb\u5b50\u5bc6\u5ea6\u3001\u96fb\u5b50\u76f8\u95a2\u306a\u3069\u306b\u5bfe\u3057\u3066\u8fd1\u4f3c\u3092\u5c0e\u5165\u3057\u3001\u8a08\u7b97\u53ef\u80fd\u306a\u5f62\u306b\u5b9a\u5f0f\u5316\u3059\u308b\u5fc5\u8981\u304c\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068\u306f\u3001\u7d4c\u9a13\u7684\u30d1\u30e9\u30e1\u30fc\u30bf\u306b\u983c\u3089\u305a\u3001\u91cf\u5b50\u529b\u5b66\u306e\u57fa\u672c\u6cd5\u5247\u306b\u57fa\u3065\u3044\u3066\u96fb\u5b50\u72b6\u614b\u3084\u5168\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u6c42\u3081\u308b\u8a08\u7b97\u624b\u6cd5\u306e\u7dcf\u79f0\u3067\u3042\u308b\u3002\u591a\u96fb\u5b50\u7cfb\u306e\u30b7\u30e5\u30ec\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f\u3092\u53b3\u5bc6\u306b\u89e3\u304f\u3053\u3068\u306f\u56f0\u96e3\u3067\u3042\u308b\u305f\u3081\u3001\u5b9f\u969b\u306b\u306f\u6ce2\u52d5\u95a2\u6570\u3084\u96fb\u5b50\u5bc6\u5ea6\u306b\u5bfe\u3057\u3066\u8fd1\u4f3c\u3092\u5c0e\u5165\u3057\u3001\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3067\u8a08\u7b97\u53ef\u80fd\u306a\u5f62\u306b\u5b9a\u5f0f\u5316\u3059\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306b\u3088\u3063\u3066\u5f97\u3089\u308c\u308b\u5168\u30a8\u30cd\u30eb\u30ae\u30fc\u3084\u96fb\u5b50\u72b6\u614b\u306e\u60c5\u5831\u3092\u7528\u3044\u308b\u3053\u3068\u3067\u3001\u539f\u5b50\u69cb\u9020\u306e\u5b89\u5b9a\u6027\u3001\u69cb\u9020\u6700\u9069\u5316\u3001\u30d0\u30f3\u30c9\u69cb\u9020\u3001\u30b9\u30d4\u30f3\u72b6\u614b\u3001\u8a98\u96fb\u7387\u3001\u5149\u5438\u53ce\u4fc2\u6570\u306a\u3069\u3001\u3055\u307e\u3056\u307e\u306a\u7269\u6027\u3092\u8a55\u4fa1\u3067\u304d\u308b\u3002\u305d\u306e\u305f\u3081\u3001\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306f\u7269\u8cea\u8a2d\u8a08\u3001\u6750\u6599\u958b\u767a\u3001\u7269\u6027\u4e88\u6e2c\u306a\u3069\u306e\u5206\u91ce\u3067\u5e83\u304f\u7528\u3044\u3089\u308c\u3066\u3044\u308b[1]\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u7528\u3044\u3089\u308c\u3066\u304d\u305f\u4ee3\u8868\u7684\u306a\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u624b\u6cd5\u306b\u306f\u3001Hartree\u2013Fock\u6cd5\uff08HF\u6cd5\uff09[2,3]\u3001M\u00f8ller\u2013Plesset\u6442\u52d5\u8ad6\uff08MP2\u6cd5\uff09[18]\u3001\u7d50\u5408\u30af\u30e9\u30b9\u30bf\u30fc\u6cd5\uff08CC\u6cd5\uff09[19]\u3001\u5168\u914d\u7f6e\u9593\u76f8\u4e92\u4f5c\u7528\u6cd5\uff08Full CI\u6cd5\uff09[4]\u3001\u5bc6\u5ea6\u6c4e\u95a2\u6570\u7406\u8ad6\uff08DFT\uff09[5,6]\u306a\u3069\u304c\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">HF\u6cd5\u306f\u8a08\u7b97\u30b3\u30b9\u30c8\u3092\u6bd4\u8f03\u7684\u4f4e\u304f\u6291\u3048\u3089\u308c\u308b\u4e00\u65b9\u3067\u3001\u96fb\u5b50\u3092\u72ec\u7acb\u306b\u904b\u52d5\u3059\u308b\u7c92\u5b50\u3068\u3057\u3066\u6271\u3046\u5e73\u5747\u5834\u8fd1\u4f3c\u306b\u57fa\u3065\u304f\u305f\u3081\u3001\u96fb\u5b50\u540c\u58eb\u304c\u4e92\u3044\u306e\u4f4d\u7f6e\u3092\u907f\u3051\u306a\u304c\u3089\u904b\u52d5\u3059\u308b\u52b9\u679c\u3092\u5341\u5206\u306b\u8a18\u8ff0\u3067\u304d\u306a\u3044\u3002Full CI\u6cd5\u306f\u3001\u4e0e\u3048\u3089\u308c\u305f\u57fa\u5e95\u95a2\u6570\u304b\u3089\u69cb\u6210\u3067\u304d\u308b\u3059\u3079\u3066\u306e\u96fb\u5b50\u914d\u7f6e\uff08\u30b9\u30ec\u30fc\u30bf\u30fc\u884c\u5217\u5f0f\uff09\u3092\u7528\u3044\u3066\u6ce2\u52d5\u95a2\u6570\u3092\u5c55\u958b\u3059\u308b\u305f\u3081\u3001\u305d\u306e\u57fa\u5e95\u95a2\u6570\u7a7a\u9593\u5185\u3067\u30b7\u30e5\u30ec\u30fc\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f\u3092\u53b3\u5bc6\u306b\u89e3\u3044\u305f\u7d50\u679c\u3068\u4e00\u81f4\u3059\u308b\u9ad8\u7cbe\u5ea6\u306a\u624b\u6cd5\u3067\u3042\u308b\u304c\u3001\u8a08\u7b97\u30b3\u30b9\u30c8\u304c\u96fb\u5b50\u6570\u3084\u8ecc\u9053\u6570\u306b\u5bfe\u3057\u3066\u6025\u6fc0\u306b\u5897\u5927\u3059\u308b\u3002DFT\u306f\u3001\u96fb\u5b50\u5bc6\u5ea6\u3092\u57fa\u672c\u5909\u6570\u3068\u3057\u3066\u6271\u3046\u3053\u3068\u3067\u6bd4\u8f03\u7684\u4f4e\u3044\u8a08\u7b97\u30b3\u30b9\u30c8\u3068\u5b9f\u7528\u7684\u306a\u7cbe\u5ea6\u3092\u4e21\u7acb\u3067\u304d\u308b\u305f\u3081\u3001\u56fa\u4f53\u6750\u6599\u3092\u5bfe\u8c61\u3068\u3059\u308b\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3067\u5e83\u304f\u7528\u3044\u3089\u308c\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u8fd1\u5e74\u3067\u306f\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3092\u7528\u3044\u305f\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u3068\u3057\u3066\u3001VQE\uff08Variational Quantum Eigensolver\uff09[6]\u304c\u6ce8\u76ee\u3055\u308c\u3066\u3044\u308b\u3002VQE\u306f\u3001\u30d1\u30e9\u30e1\u30fc\u30bf\u5316\u3055\u308c\u305f\u8a66\u884c\u6ce2\u52d5\u95a2\u6570\u3092\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u751f\u6210\u3057\u3001\u305d\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u3092\u6e2c\u5b9a\u3057\u3001\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u6700\u9069\u5316\u3092\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u884c\u3046\u91cf\u5b50\u2013\u53e4\u5178\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u624b\u6cd5\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">VQE\u306f\u3001\u5909\u5206\u539f\u7406\u306b\u57fa\u3065\u3044\u3066\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8fd1\u4f3c\u7684\u306b\u6c42\u3081\u308b\u624b\u6cd5\u3067\u3042\u308a\u3001\u7279\u306b\u96fb\u5b50\u9593\u306e\u76f8\u4e92\u4f5c\u7528\u304c\u5f37\u304f\u3001\u5404\u96fb\u5b50\u3092\u5e73\u5747\u7684\u306a\u5834\u306e\u4e2d\u3067\u72ec\u7acb\u306b\u904b\u52d5\u3059\u308b\u7c92\u5b50\u3068\u3057\u3066\u8fd1\u4f3c\u3059\u308b\u3053\u3068\u304c\u96e3\u3057\u3044\u5f37\u76f8\u95a2\u96fb\u5b50\u7cfb\u306e\u3088\u3046\u306b\u3001\u53e4\u5178\u8a08\u7b97\u3067\u6271\u3044\u304c\u96e3\u3057\u3044\u554f\u984c\u306b\u5bfe\u3057\u3066\u6709\u671b\u3067\u3042\u308b\u3068\u8003\u3048\u3089\u308c\u3066\u3044\u308b\u3002\u307e\u305f\u3001\u91cf\u5b50\u4f4d\u76f8\u63a8\u5b9a\u6cd5\u306e\u3088\u3046\u306a\u6df1\u3044\u91cf\u5b50\u56de\u8def\u3092\u5fc5\u8981\u3068\u3059\u308b\u624b\u6cd5\u3068\u306f\u7570\u306a\u308a\u3001\u30d1\u30e9\u30e1\u30fc\u30bf\u5316\u91cf\u5b50\u56de\u8def\u306e\u6df1\u3055\u3092\u30cf\u30fc\u30c9\u30a6\u30a7\u30a2\u6027\u80fd\u306b\u5fdc\u3058\u3066\u8abf\u6574\u3067\u304d\u308b\u305f\u3081\u3001\u6bd4\u8f03\u7684\u6d45\u3044\u91cf\u5b50\u56de\u8def\u3067\u3082\u5b9f\u884c\u53ef\u80fd\u3067\u3042\u308b\u3002\u3053\u306e\u7279\u5fb4\u304b\u3089\u3001\u8aa4\u308a\u8010\u6027\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u304c\u5b9f\u73fe\u3059\u308b\u4ee5\u524d\u306eNISQ\u30c7\u30d0\u30a4\u30b9\u306b\u9069\u3057\u305f\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u306e\u4e00\u3064\u3068\u3057\u3066\u6ce8\u76ee\u3055\u308c\u3066\u3044\u308b[7,8]\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">VQE\u3067\u306f\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u751f\u6210\u3059\u308b\u8a66\u884c\u6ce2\u52d5\u95a2\u6570\u306e\u5f62\u3092\u3042\u3089\u304b\u3058\u3081\u6c7a\u3081\u3066\u304a\u304d\u3001\u305d\u306e\u4e2d\u306b\u542b\u307e\u308c\u308b\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u6700\u9069\u5316\u3059\u308b\u3002\u3053\u306e\u8a66\u884c\u6ce2\u52d5\u95a2\u6570\u306e\u69cb\u6210\u65b9\u6cd5\u306e\u3053\u3068\u3092ansatz\u3068\u547c\u3076\u3002\u4ee3\u8868\u7684\u306aansatz\u3068\u3057\u3066\u3001\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u3067\u3088\u304f\u7528\u3044\u3089\u308c\u308bUnitary Coupled Cluster\uff08UCC\uff09\u6cd5[9,10]\u3084\u3001\u91cf\u5b50\u30c7\u30d0\u30a4\u30b9\u4e0a\u3067\u5b9f\u88c5\u3057\u3084\u3059\u3044hardware-efficient ansatz[11]\u304c\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u672c\u8a18\u4e8b\u3067\u306f\u3001VQE\u3067\u7528\u3044\u3089\u308c\u308b\u4ee3\u8868\u7684\u306aansatz\u306e\u4e00\u3064\u3067\u3042\u308bUCC\u6cd5\u3001\u7279\u306b\u5358\u4e00\u52b1\u8d77\u304a\u3088\u3073\u4e8c\u91cd\u52b1\u8d77\u3092\u53d6\u308a\u5165\u308c\u305fUCCSD\u6cd5\u306b\u3064\u3044\u3066\u8aac\u660e\u3059\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E6%89%8B%E6%B3%95\"><\/span>\u624b\u6cd5<span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">VQE\u306e\u7406\u8ad6\u7684\u57fa\u76e4\u306f\u5909\u5206\u539f\u7406\u3067\u3042\u308b\u3002\u5909\u5206\u539f\u7406\u306b\u3088\u308c\u3070\u3001\u4efb\u610f\u306e\u898f\u683c\u5316\u3055\u308c\u305f\u8a66\u884c\u6ce2\u52d5\u95a2\u6570 $\\ket{\\psi(\\theta)}$ \u306b\u5bfe\u3059\u308b\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024$E(\\theta)=\\braket{\\psi(\\theta)|\\hat{H}|\\psi(\\theta)}$\u306f\u3001\u771f\u306e\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc $E_0$\u4ee5\u4e0a\u3068\u306a\u308b\u3002\u3059\u306a\u308f\u3061\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$E(\\theta) \\geq E_0$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u304c\u6210\u308a\u7acb\u3064\u3002\u3057\u305f\u304c\u3063\u3066\u3001\u30d1\u30e9\u30e1\u30fc\u30bf $\\theta$\u3092\u5909\u5316\u3055\u305b\u3066 $E(\\theta)$\u3092\u6700\u5c0f\u5316\u3059\u308b\u3053\u3068\u3067\u3001\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8fd1\u4f3c\u7684\u306b\u6c42\u3081\u308b\u3053\u3068\u304c\u3067\u304d\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u672c\u8a18\u4e8b\u3067\u306f\u3001\u5468\u671f\u7cfb\u306b\u5bfe\u3059\u308bVQE\u8a08\u7b97\u306e\u6d41\u308c\u3092\u8aac\u660e\u3057\u3001\u305d\u306e\u4e2d\u3067\u7528\u3044\u3089\u308c\u308bUCCSD\u578bansatz\u3068\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u306e\u6e2c\u5b9a\u65b9\u6cd5\u306b\u3064\u3044\u3066\u8ff0\u3079\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"683\" src=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-9-1024x683.png\" alt=\"\" class=\"wp-image-9285\" srcset=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-9-1024x683.png 1024w, https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-9-300x200.png 300w, https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-9-768x512.png 768w, https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-9.png 1536w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">ChatGPT\u306b\u3088\u308a\u4f5c\u6210<\/figcaption><\/figure>\n\n\n\n<h3 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"VQE%E3%81%AE%E3%82%A2%E3%83%AB%E3%82%B4%E3%83%AA%E3%82%BA%E3%83%A0%E3%81%AB%E3%81%A4%E3%81%84%E3%81%A6\"><\/span>VQE\u306e\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u306b\u3064\u3044\u3066<span class=\"ez-toc-section-end\"><\/span><\/h3>\n\n\n\n<p class=\"wp-block-paragraph\">VQE\u306e\u57fa\u672c\u7684\u306a\u6d41\u308c\u306f\u6b21\u306e\u3088\u3046\u306b\u307e\u3068\u3081\u3089\u308c\u308b\u3002<\/p>\n\n\n\n<ol class=\"wp-block-list\">\n<li>\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u3001\u30d1\u30e9\u30e1\u30fc\u30bf $\\theta$ \u3092\u3082\u3064\u8a66\u884c\u6ce2\u52d5\u95a2\u6570 $\\ket{\\psi(\\theta)}$ \u3092\u751f\u6210\u3059\u308b\u3002<\/li>\n\n\n\n<li>\u751f\u6210\u3057\u305f\u72b6\u614b\u306b\u5bfe\u3057\u3066\u3001\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3 $\\hat{H}$ \u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024$E(\\theta)=\\braket{\\psi(\\theta)|\\hat{H}|\\psi(\\theta)}$\u3092\u6e2c\u5b9a\u3059\u308b\u3002<\/li>\n\n\n\n<li>\u6e2c\u5b9a\u3055\u308c\u305f\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u3092\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u306b\u6e21\u3057\u3001\u6700\u9069\u5316\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u3092\u7528\u3044\u3066 $E(\\theta)$ \u304c\u5c0f\u3055\u304f\u306a\u308b\u3088\u3046\u306b\u30d1\u30e9\u30e1\u30fc\u30bf $\\theta$ \u3092\u66f4\u65b0\u3059\u308b\u3002<\/li>\n\n\n\n<li>\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u304c\u53ce\u675f\u3059\u308b\u307e\u3067\u3001\u72b6\u614b\u751f\u6210\u3001\u6e2c\u5b9a\u3001\u30d1\u30e9\u30e1\u30fc\u30bf\u66f4\u65b0\u3092\u7e70\u308a\u8fd4\u3059\u3002\u5f97\u3089\u308c\u305f\u6700\u5c0f\u5024\u3092\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u8fd1\u4f3c\u5024\u3068\u3059\u308b\u3002<\/li>\n<\/ol>\n\n\n\n<h4 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"1_ansatz%E3%81%AE%E6%A7%8B%E6%88%90\"><\/span>1. ansatz\u306e\u69cb\u6210<span class=\"ez-toc-section-end\"><\/span><\/h4>\n\n\n\n<p class=\"wp-block-paragraph\">VQE\u3067\u306f\u3001\u8a66\u884c\u6ce2\u52d5\u95a2\u6570 $\\ket{\\psi(\\theta)}$ \u306e\u5f62\u3092\u3042\u3089\u304b\u3058\u3081\u6c7a\u3081\u3001\u305d\u306e\u4e2d\u306b\u542b\u307e\u308c\u308b\u30d1\u30e9\u30e1\u30fc\u30bf $\\theta$ \u3092\u6700\u9069\u5316\u3059\u308b\u3002\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u3067\u3088\u304f\u7528\u3044\u3089\u308c\u308bansatz\u306e\u4e00\u3064\u306b\u3001Unitary Coupled Cluster\uff08UCC\uff09\u6cd5\u304c\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">UCC\u6cd5\u306f\u3001\u53e4\u5178\u7684\u306a\u7d50\u5408\u30af\u30e9\u30b9\u30bf\u30fc\uff08Coupled Cluster: CC\uff09\u6cd5\u306e\u8003\u3048\u65b9\u3092\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u6271\u3048\u308b\u3088\u3046\u306b\u62e1\u5f35\u3057\u305f\u624b\u6cd5\u3067\u3042\u308b\u3002\u901a\u5e38\u306eCC\u6cd5\u3067\u306f\u3001\u53c2\u7167\u6ce2\u52d5\u95a2\u6570 $\\ket{\\Phi_0}$ \u306b\u5bfe\u3057\u3066\u6307\u6570\u578b\u6f14\u7b97\u5b50 $e^T$ \u3092\u4f5c\u7528\u3055\u305b\u308b\u3002\u4e00\u65b9\u3001UCC\u6cd5\u3067\u306f\u3001\u53cd\u30a8\u30eb\u30df\u30fc\u30c8\u6f14\u7b97\u5b50 $T-T^\\dagger$ \u3092\u7528\u3044\u3066\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\ket{\\Psi_{\\mathrm{UCC}}}=e^{T-T^\\dagger}\\ket{\\Phi_0}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u8a66\u884c\u6ce2\u52d5\u95a2\u6570\u3092\u69cb\u6210\u3059\u308b\u3002\u3053\u3053\u3067\u3001$\\ket{\\Phi_0}$ \u306f\u53c2\u7167\u6ce2\u52d5\u95a2\u6570\u3067\u3042\u308a\u3001\u901a\u5e38\u306fHartree\u2013Fock\u6ce2\u52d5\u95a2\u6570\u304c\u7528\u3044\u3089\u308c\u308b\u3002\u307e\u305f\u3001$T$ \u306f\u52b1\u8d77\u6f14\u7b97\u5b50\u3001$T^\\dagger$ \u306f\u305d\u306e\u30a8\u30eb\u30df\u30fc\u30c8\u5171\u5f79\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u901a\u5e38\u306eCC\u6cd5\u3067\u7528\u3044\u3089\u308c\u308b $e^T$ \u306f\u4e00\u822c\u306b\u30e6\u30cb\u30bf\u30ea\u30fc\u6f14\u7b97\u5b50\u3067\u306f\u306a\u3044\u305f\u3081\u3001\u305d\u306e\u307e\u307e\u91cf\u5b50\u56de\u8def\u3068\u3057\u3066\u5b9f\u88c5\u3059\u308b\u3053\u3068\u306f\u96e3\u3057\u3044\u3002\u4e00\u65b9\u3001UCC\u6cd5\u3067\u7528\u3044\u3089\u308c\u308b $T-T^\\dagger$ \u306f\u53cd\u30a8\u30eb\u30df\u30fc\u30c8\u6f14\u7b97\u5b50\u3067\u3042\u308b\u305f\u3081\u3001$e^{T-T^\\dagger}$ \u306f\u30e6\u30cb\u30bf\u30ea\u30fc\u6f14\u7b97\u5b50\u3068\u306a\u308a\u3001\u91cf\u5b50\u56de\u8def\u3068\u3057\u3066\u5b9f\u88c5\u3057\u3084\u3059\u3044\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">UCCSD\u6cd5\u3067\u306f\u3001\u52b1\u8d77\u6f14\u7b97\u5b50 $T$ \u3092\u52b1\u8d77\u6b21\u6570\u306b\u95a2\u3057\u3066\u30af\u30e9\u30b9\u30bf\u30fc\u5c55\u958b\u3057\u3001\u5358\u4e00\u52b1\u8d77\u9805 $T_1$ \u3068\u4e8c\u91cd\u52b1\u8d77\u9805 $T_2$ \u307e\u3067\u3067\u6253\u3061\u5207\u308b\u3002\u3059\u306a\u308f\u3061\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$T \\simeq T_1+T_2$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u8fd1\u4f3c\u3059\u308b\u3002\u3053\u3053\u3067\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$T_1=\\sum_{ia} t_i^a a_a^\\dagger a_i$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$T_2=\\sum_{ijab} t_{ij}^{ab} a_a^\\dagger a_b^\\dagger a_j a_i$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3067\u3042\u308b\u3002$i,j$ \u306fHartree\u2013Fock\u53c2\u7167\u72b6\u614b\u306b\u304a\u3051\u308b\u5360\u6709\u8ecc\u9053\u3001$a,b$ \u306f\u975e\u5360\u6709\u8ecc\u9053\u3092\u8868\u3059\u3002\u307e\u305f\u3001$t_i^a$ \u304a\u3088\u3073 $t_{ij}^{ab}$ \u306f\u52b1\u8d77\u632f\u5e45\u3067\u3042\u308a\u3001VQE\u3067\u306f\u3053\u308c\u3089\u3092\u30d1\u30e9\u30e1\u30fc\u30bf\u3068\u3057\u3066\u6700\u9069\u5316\u3059\u308b\u3002\u3053\u3053\u3067\u3001Hartree\u2013Fock\u53c2\u7167\u72b6\u614b$\\ket{\\Phi_0}$ \u3068\u306fHartree\u2013Fock\u6cd5\u306b\u3088\u3063\u3066\u5f97\u3089\u308c\u308b\u8fd1\u4f3c\u57fa\u5e95\u72b6\u614b\u3067\u3042\u308a\u3001UCCSD\u3067\u306f\u3053\u306e\u72b6\u614b\u3092\u57fa\u6e96\u3068\u3057\u3066\u96fb\u5b50\u52b1\u8d77\u3092\u5c0e\u5165\u3059\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3057\u305f\u304c\u3063\u3066\u3001UCCSD ansatz\u306f\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\ket{\\Psi_{\\mathrm{UCCSD}}}=e^{T_1+T_2-T_1^\\dagger-T_2^\\dagger}\\ket{\\Phi_0}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u8868\u3055\u308c\u308b\u3002\u5b9f\u969b\u306e\u91cf\u5b50\u56de\u8def\u5b9f\u88c5\u3067\u306f\u3001\u3053\u306e\u6307\u6570\u6f14\u7b97\u5b50\u3092\u76f4\u63a5\u5b9f\u88c5\u3059\u308b\u3053\u3068\u306f\u56f0\u96e3\u3067\u3042\u308b\u305f\u3081\u3001\u6f14\u7b97\u5b50\u3092\u5b9f\u88c5\u53ef\u80fd\u306a\u91cf\u5b50\u30b2\u30fc\u30c8\u5217\u3078\u5206\u89e3\u3059\u308b\u8fd1\u4f3c\u624b\u6cd5\u3067\u3042\u308bTrotter\u5206\u89e3\u306a\u3069\u306b\u3088\u3063\u3066\u3001\u91cf\u5b50\u30b2\u30fc\u30c8\u5217\u3068\u3057\u3066\u8fd1\u4f3c\u7684\u306b\u8868\u73fe\u3059\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u96fb\u5b50\u306e\u751f\u6210\u6d88\u6ec5\u6f14\u7b97\u5b50\u3092\u91cf\u5b50\u30d3\u30c3\u30c8\u4e0a\u3067\u6271\u3046\u305f\u3081\u306b\u306f\u3001\u30d5\u30a7\u30eb\u30df\u30aa\u30f3\u6f14\u7b97\u5b50\u3092\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u306b\u5909\u63db\u3067\u304d\u308c\u3070\u5341\u5206\u3067\u3042\u308b\u3002\u305d\u306e\u4ee3\u8868\u7684\u306a\u65b9\u6cd5\u304cJordan\u2013Wigner\u5909\u63db[12]\u3067\u3042\u308b\u3002Jordan\u2013Wigner\u5909\u63db\u3092\u7528\u3044\u308b\u3068\u3001\u751f\u6210\u6f14\u7b97\u5b50 $a_j^\\dagger$\u304a\u3088\u3073\u6d88\u6ec5\u6f14\u7b97\u5b50 $a_j$ \u306f\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$a_j^\\dagger=\\left(\\prod_{k=0}^{j-1} Z_k\\right)\\frac{X_j-iY_j}{2}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$a_j=\\left(\\prod_{k=0}^{j-1} Z_k\\right)\\frac{X_j+iY_j}{2}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u8868\u3055\u308c\u308b\u3002\u3053\u3053\u3067\u3001$X_j\u3001Y_j\u3001Z_j$ \u306f $j$ \u756a\u76ee\u306e\u91cf\u5b50\u30d3\u30c3\u30c8\u306b\u4f5c\u7528\u3059\u308b\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u306e\u5909\u63db\u306b\u3088\u308a\u3001UCCSD ansatz\u306b\u542b\u307e\u308c\u308b\u751f\u6210\u6d88\u6ec5\u6f14\u7b97\u5b50\u3092\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u306e\u7a4d\u3068\u3057\u3066\u8868\u3059\u3053\u3068\u304c\u3067\u304d\u308b\u3002\u3057\u305f\u304c\u3063\u3066\u3001UCCSD\u6ce2\u52d5\u95a2\u6570\u306f\u3001\u30d1\u30e9\u30e1\u30fc\u30bf\u4ed8\u304d\u91cf\u5b50\u30b2\u30fc\u30c8\u5217\u3068\u3057\u3066\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u306b\u5b9f\u88c5\u3067\u304d\u308b\u3002<\/p>\n\n\n\n<h4 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"2_%E3%82%A8%E3%83%8D%E3%83%AB%E3%82%AE%E3%83%BC%E6%9C%9F%E5%BE%85%E5%80%A4%E3%82%92%E6%B8%AC%E5%AE%9A%E3%81%99%E3%82%8B\"><\/span>2. \u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u3092\u6e2c\u5b9a\u3059\u308b<span class=\"ez-toc-section-end\"><\/span><\/h4>\n\n\n\n<p class=\"wp-block-paragraph\">VQE\u3067\u306f\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u751f\u6210\u3057\u305f\u8a66\u884c\u6ce2\u52d5\u95a2\u6570 $\\ket{\\psi(\\theta)}$ \u306b\u5bfe\u3057\u3066\u3001\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3 $\\hat{H}$ \u306e\u671f\u5f85\u5024<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$E(\\theta)=\\braket{\\psi(\\theta)|\\hat{H}|\\psi(\\theta)}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3092\u6e2c\u5b9a\u3059\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u5468\u671f\u5883\u754c\u6761\u4ef6\u3092\u3082\u3064\u56fa\u4f53\u96fb\u5b50\u7cfb\u306e\u30d5\u30a7\u30eb\u30df\u30aa\u30f3\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u306f\u3001\u7b2c\u4e8c\u91cf\u5b50\u5316\u8868\u793a\u3092\u7528\u3044\u3066\u4e00\u822c\u306b<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$<br>\\hat{H}=<br>\\sum_{p,q}\\sum_{\\boldsymbol{k}}t_{pq}^{\\boldsymbol{k}}\\hat{c}_{p\\boldsymbol{k}}^{\\dagger}\\hat{c}_{q\\boldsymbol{k}}<br>+\\sum_{p,q,r,s}\\sum_{\\boldsymbol{k}_{p},\\boldsymbol{k}_{q},\\boldsymbol{k}_{r},\\boldsymbol{k}_{s}}v_{pqrs}^{\\boldsymbol{k}_{p}\\boldsymbol{k}_{q}\\boldsymbol{k}_{r}\\boldsymbol{k}_{s}}\\hat{c}_{p\\boldsymbol{k}_{p}}^{\\dagger}\\hat{c}_{q\\boldsymbol{k}_{q}}^{\\dagger}\\hat{c}_{r\\boldsymbol{k}_{r}}\\hat{c}_{s\\boldsymbol{k}_{s}}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u306e\u3088\u3046\u306b\u8868\u3055\u308c\u308b\u3002\u3053\u3053\u3067\u3001$\\hat{c}_{p\\boldsymbol{k}}^{\\dagger}$ \u304a\u3088\u3073 $\\hat{c}_{p\\boldsymbol{k}}$ \u306f\u3001\u305d\u308c\u305e\u308c\u7d50\u6676\u904b\u52d5\u91cf $\\boldsymbol{k}$ \u3092\u3082\u3064 $p$ \u756a\u76ee\u306e\u7d50\u6676\u8ecc\u9053\u306e\u751f\u6210\u6f14\u7b97\u5b50\u304a\u3088\u3073\u6d88\u6ec5\u6f14\u7b97\u5b50\u3067\u3042\u308b\u3002\u307e\u305f\u3001$t_{pq}^{\\boldsymbol{k}}$ \u306f\u4e00\u96fb\u5b50\u7a4d\u5206\u3001$v_{pqrs}^{\\boldsymbol{k}_{p}\\boldsymbol{k}_{q}\\boldsymbol{k}_{r}\\boldsymbol{k}_{s}}$ \u306f\u4e8c\u96fb\u5b50\u7a4d\u5206\u3092\u8868\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u308c\u3089\u306e\u7a4d\u5206\u5024\u306f\u3001VQE\u3092\u5b9f\u884c\u3059\u308b\u524d\u306b\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u8a08\u7b97\u3055\u308c\u308b\u3002\u5f97\u3089\u308c\u305f\u30d5\u30a7\u30eb\u30df\u30aa\u30f3\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u306bJordan\u2013Wigner\u5909\u63db\u306a\u3069\u3092\u9069\u7528\u3059\u308b\u3068\u3001\u91cf\u5b50\u30d3\u30c3\u30c8\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\hat{H}=\\sum_\\ell h_\\ell P_\\ell$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u3057\u3066\u8868\u3059\u3053\u3068\u304c\u3067\u304d\u308b\u3002\u3053\u3053\u3067\u3001$h_\\ell$ \u306f\u53e4\u5178\u8a08\u7b97\u304b\u3089\u5f97\u3089\u308c\u308b\u4fc2\u6570\u3001$P_\\ell$ \u306f\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u306e\u7a4d\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3057\u305f\u304c\u3063\u3066\u3001\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u306f<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$E(\\theta)=\\sum_\\ell h_\\ell\\braket{\\psi(\\theta)|P_\\ell|\\psi(\\theta)}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u5206\u89e3\u3067\u304d\u308b\u3002\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3067\u306f\u5404\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50 $P_\\ell$ \u306e\u671f\u5f85\u5024\u3092\u6e2c\u5b9a\u3057\u3001\u305d\u308c\u306b\u4fc2\u6570 $h_\\ell$ \u3092\u639b\u3051\u5408\u308f\u305b\u3066\u8db3\u3057\u5408\u308f\u305b\u308b\u3053\u3068\u3067\u3001\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024 $E(\\theta)$ \u3092\u8a55\u4fa1\u3059\u308b\u3002<\/p>\n\n\n\n<h4 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"3_%E5%8F%A4%E5%85%B8%E3%82%B3%E3%83%B3%E3%83%94%E3%83%A5%E3%83%BC%E3%82%BF%E3%81%A7%E3%83%91%E3%83%A9%E3%83%A1%E3%83%BC%E3%82%BF%E3%82%92%E6%9C%80%E9%81%A9%E5%8C%96%E3%81%99%E3%82%8B\"><\/span>3. \u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3067\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u6700\u9069\u5316\u3059\u308b<span class=\"ez-toc-section-end\"><\/span><\/h4>\n\n\n\n<p class=\"wp-block-paragraph\">\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3067\u6e2c\u5b9a\u3055\u308c\u305f\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024 $E(\\theta)$ \u306f\u3001\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u306e\u6700\u9069\u5316\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u306b\u6e21\u3055\u308c\u308b\u3002\u53e4\u5178\u6700\u9069\u5316\u3067\u306f\u3001\u52fe\u914d\u964d\u4e0b\u6cd5[13]\u3001Nelder\u2013Mead\u6cd5[14]\u3001COBYLA\u6cd5[15]\u306a\u3069\u3092\u7528\u3044\u3066\u3001\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u304c\u5c0f\u3055\u304f\u306a\u308b\u3088\u3046\u306b\u30d1\u30e9\u30e1\u30fc\u30bf $\\theta$ \u3092\u66f4\u65b0\u3059\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">UCCSD ansatz\u306e\u5834\u5408\u3001\u6700\u9069\u5316\u3055\u308c\u308b\u30d1\u30e9\u30e1\u30fc\u30bf\u306f\u3001\u5358\u4e00\u52b1\u8d77\u304a\u3088\u3073\u4e8c\u91cd\u52b1\u8d77\u306b\u5bfe\u5fdc\u3059\u308b\u52b1\u8d77\u632f\u5e45\u3067\u3042\u308b\u3002\u3059\u306a\u308f\u3061\u3001$t_i^a$ \u3084 $t_{ij}^{ab}$ \u306b\u5bfe\u5fdc\u3059\u308b\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u66f4\u65b0\u3057\u306a\u304c\u3089\u3001\u3088\u308a\u4f4e\u3044\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u4e0e\u3048\u308b\u8a66\u884c\u6ce2\u52d5\u95a2\u6570\u3092\u63a2\u7d22\u3059\u308b\u3002<\/p>\n\n\n\n<h4 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"4_%E5%8F%8E%E6%9D%9F%E3%81%99%E3%82%8B%E3%81%BE%E3%81%A7%E5%8F%8D%E5%BE%A9%E3%81%99%E3%82%8B\"><\/span>4. \u53ce\u675f\u3059\u308b\u307e\u3067\u53cd\u5fa9\u3059\u308b<span class=\"ez-toc-section-end\"><\/span><\/h4>\n\n\n\n<p class=\"wp-block-paragraph\">VQE\u3067\u306f\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u306b\u3088\u308b\u72b6\u614b\u751f\u6210\u3068\u6e2c\u5b9a\u3001\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u306b\u3088\u308b\u30d1\u30e9\u30e1\u30fc\u30bf\u66f4\u65b0\u3092\u7e70\u308a\u8fd4\u3059\u3002\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024 $E(\\theta)$ \u304c\u5341\u5206\u306b\u53ce\u675f\u3057\u305f\u3068\u304d\u3001\u305d\u306e\u6700\u5c0f\u5024\u3092\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u8fd1\u4f3c\u5024\u3068\u307f\u306a\u3059\u3002\u6700\u9069\u5316\u3055\u308c\u305f\u30d1\u30e9\u30e1\u30fc\u30bf\u306f\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\theta^\\ast=\\arg\\min_{\\theta}\\braket{\\psi(\\theta)|\\hat{H}|\\psi(\\theta)}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u8868\u3055\u308c\u308b\u3002\u3053\u306e\u3068\u304d\u3001\u5f97\u3089\u308c\u308b\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u8fd1\u4f3c\u5024\u306f\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$E_{\\mathrm{VQE}}=\\braket{\\psi(\\theta^\\ast)|\\hat{H}|\\psi(\\theta^\\ast)}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3067\u3042\u308b\u3002\u5909\u5206\u539f\u7406\u306b\u3088\u308a\u3001\u3053\u306e\u5024\u306f\u771f\u306e\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u306b\u5bfe\u3059\u308b\u4e0a\u754c\u3092\u4e0e\u3048\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E7%B5%90%E6%9E%9C\"><\/span>\u7d50\u679c<span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<figure class=\"wp-block-image size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"662\" height=\"428\" src=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-7.png\" alt=\"\" class=\"wp-image-9268\" style=\"aspect-ratio:1.5467387864315103;width:840px;height:auto\" srcset=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-7.png 662w, https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-7-300x194.png 300w\" sizes=\"auto, (max-width: 662px) 100vw, 662px\" \/><figcaption class=\"wp-element-caption\">\u56f31. 1\u6b21\u5143\u6c34\u7d20\u539f\u5b50\u9396\u306e\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8a08\u7b97\u3057\u3001\u539f\u5b50\u9593\u8ddd\u96e2\u3092\u5909\u5316\u3055\u305b\u305f\u969b\u306e\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30a8\u30cd\u30eb\u30ae\u30fc\u66f2\u7dda\uff08\u8ad6\u6587\u3088\u308a\uff09<\/figcaption><\/figure>\n\n\n\n<p class=\"wp-block-paragraph\">\u56f31\u306f\u3001\u4e00\u6b21\u5143\u6c34\u7d20\u539f\u5b50\u9396\u306b\u304a\u3051\u308b\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30a8\u30cd\u30eb\u30ae\u30fc\u66f2\u7dda\u3092\u793a\u3057\u3066\u3044\u308b\u3002\u6a2a\u8ef8\u306f\u96a3\u63a5\u3059\u308bH\u2013H\u9593\u8ddd\u96e2\u3001\u7e26\u8ef8\u306f\u539f\u5b50\u5f53\u305f\u308a\u306e\u5168\u30a8\u30cd\u30eb\u30ae\u30fc\u3067\u3042\u308b\u3002\u7d50\u679c\u306b\u793a\u3055\u308c\u3066\u3044\u308bbUCCSD-Real\uff08broken-translational-symmetry UCCSD ansatz with real variables\uff09\u306f\u3001\u901a\u5e38\u306eUCCSD\u3092\u672c\u8ad6\u6587\u3067\u5468\u671f\u7cfb\u6750\u6599\u306b\u5b9f\u88c5\u3059\u308b\u305f\u3081\u306b\u7528\u3044\u305f\u5909\u7a2e\u3067\u3042\u308b\u3002\u901a\u5e38\u306eUCCSD\u306f\u4e3b\u306b\u5206\u5b50\u7cfb\u3092\u5bfe\u8c61\u3068\u3059\u308b\u306e\u306b\u5bfe\u3057\u3001bUCCSD-Real \u306f\u4e26\u9032\u5bfe\u79f0\u6027\u3092\u53b3\u5bc6\u306b\u306f\u8ab2\u3055\u305a\u3001\u5468\u671f\u7cfb\u306b\u304a\u3051\u308b\u96fb\u5b50\u76f8\u95a2\u3092\u3088\u308a\u67d4\u8edf\u306b\u8868\u73fe\u3059\u308b\u3002\u307e\u305f\u3001\u5909\u5206\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u5b9f\u6570\u306b\u9650\u5b9a\u3059\u308b\u3053\u3068\u3067\u5b9f\u88c5\u3092\u7c21\u7565\u5316\u3057\u3066\u3044\u308b\u3002\u91cf\u5b50\u56de\u8def\u306e\u69cb\u6210\u81ea\u4f53\u306f\u901a\u5e38\u306e UCCSD \u3068\u307b\u307c\u540c\u69d8\u3060\u304c\u3001\u5bfe\u8c61\u3068\u3059\u308b\u7cfb\u3068\u5bfe\u79f0\u6027\u306e\u6271\u3044\u304c\u7570\u306a\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u4e00\u6b21\u5143\u6c34\u7d20\u9396\u306f\u3001\u5f37\u76f8\u95a2\u96fb\u5b50\u7cfb\u306b\u5bfe\u3059\u308b\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u624b\u6cd5\u306e\u6027\u80fd\u3092\u8a55\u4fa1\u3059\u308b\u305f\u3081\u306e\u30d9\u30f3\u30c1\u30de\u30fc\u30af\u3068\u3057\u3066\u7528\u3044\u3089\u308c\u308b\u3002\u96a3\u63a5\u3059\u308bH\u2013H\u9593\u8ddd\u96e2\u304c\u5927\u304d\u304f\u306a\u308b\u3068\u3001\u96fb\u5b50\u306e\u5c40\u5728\u6027\u304c\u5f37\u307e\u308a\u3001\u5e73\u5747\u5834\u7684\u306a\u8fd1\u4f3c\u3067\u306f\u96fb\u5b50\u76f8\u95a2\u3092\u5341\u5206\u306b\u8a18\u8ff0\u3059\u308b\u3053\u3068\u304c\u96e3\u3057\u304f\u306a\u308b\u3002\u305d\u306e\u305f\u3081\u3001\u3053\u306e\u9818\u57df\u3067\u306fFull CI\u306e\u7d50\u679c\u306b\u3069\u308c\u3060\u3051\u8fd1\u3044\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u518d\u73fe\u3067\u304d\u308b\u304b\u304c\u3001\u8a08\u7b97\u624b\u6cd5\u306e\u7cbe\u5ea6\u3092\u8a55\u4fa1\u3059\u308b\u91cd\u8981\u306a\u6307\u6a19\u3068\u306a\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u56f31\u306e\u8a08\u7b97\u7d50\u679c\u304b\u3089\u3001RHF\u6cd5[16,17]\u3001MP2\u6cd5[18]\u3001CCSD\u6cd5[19]\u306a\u3069\u306e\u53e4\u5178\u7684\u306a\u8fd1\u4f3c\u624b\u6cd5\u3067\u306f\u3001\u96a3\u63a5H\u2013H\u9593\u8ddd\u96e2\u304c\u5927\u304d\u304f\u306a\u308b\u5f37\u76f8\u95a2\u9818\u57df\u306b\u304a\u3044\u3066\u3001Full CI\u306e\u7d50\u679c\u304b\u3089\u5927\u304d\u304f\u305a\u308c\u308b\u3053\u3068\u304c\u5206\u304b\u308b\u3002\u4e00\u65b9\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u306e\u5b9f\u88c5\u3092\u60f3\u5b9a\u3057\u305fUCCSD\u578b\u306e\u624b\u6cd5\u3067\u3042\u308bbUCCSD-real\u306f\u3001H\u2013H\u9593\u8ddd\u96e2\u304c\u5927\u304d\u3044\u9818\u57df\u3067\u3082Full CI\u306b\u8fd1\u3044\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u4e0e\u3048\u3066\u3044\u308b\u3002\u3053\u306e\u3053\u3068\u306f\u3001VQE\u306b\u57fa\u3065\u304fUCCSD\u578bansatz\u304c\u3001\u5f37\u76f8\u95a2\u9818\u57df\u306b\u304a\u3051\u308b\u96fb\u5b50\u76f8\u95a2\u3092\u6bd4\u8f03\u7684\u3088\u304f\u8a18\u8ff0\u3067\u304d\u308b\u53ef\u80fd\u6027\u3092\u793a\u3057\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"659\" src=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-8-1024x659.png\" alt=\"\" class=\"wp-image-9269\" srcset=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-8-1024x659.png 1024w, https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-8-300x193.png 300w, https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-8-768x494.png 768w, https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/wp-content\/uploads\/2026\/06\/image-8.png 1095w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56f32. \u8fd1\u63a5H-H\u9593\u8ddd\u96e2\u306b\u5bfe\u3059\u308b\u5404\u624b\u6cd5\u306e\u8a08\u7b97\u7d50\u679c\u3068FullCI\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u7d76\u5bfe\u8aa4\u5dee\uff08\u8ad6\u6587\u3088\u308a\uff09<\/figcaption><\/figure>\n\n\n\n<p class=\"wp-block-paragraph\">\u56f32\u306f\u3001\u56f31\u3067\u793a\u3057\u305f\u5404\u624b\u6cd5\u306e\u3046\u3061\u3001\u7279\u306bFull CI\u306b\u8fd1\u3044\u7d50\u679c\u3092\u4e0e\u3048\u305fCCSD\u6cd5\u3068bUCCSD-real\u6cd5\u306b\u3064\u3044\u3066\u3001Full CI\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u304b\u3089\u306e\u7d76\u5bfe\u8aa4\u5dee\u3092\u6bd4\u8f03\u3057\u305f\u3082\u306e\u3067\u3042\u308b\u3002\u6a2a\u8ef8\u306f\u96a3\u63a5H\u2013H\u9593\u8ddd\u96e2\u3001\u7e26\u8ef8\u306fFull CI\u306b\u5bfe\u3059\u308b\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u7d76\u5bfe\u8aa4\u5dee\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u56f32\u3092\u898b\u308b\u3068\u3001H\u2013H\u9593\u8ddd\u96e2\u304c2.6\u301c2.8 Bohr\u4ed8\u8fd1\u3067\u306f\u4e00\u6642\u7684\u306bCCSD\u6cd5\u306e\u65b9\u304c\u5c0f\u3055\u3044\u8aa4\u5dee\u3092\u793a\u3057\u3066\u3044\u308b\u3002\u4e00\u65b9\u30013.0 Bohr\u4ee5\u4e0a\u306e\u5f37\u76f8\u95a2\u9818\u57df\u3067\u306f\u3001bUCCSD-real\u6cd5\u306e\u65b9\u304cFull CI\u306b\u8fd1\u3044\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u4e0e\u3048\u3066\u3044\u308b\u3002\u3053\u306e\u7d50\u679c\u304b\u3089\u3001bUCCSD-real\u6cd5\u306f\u3001\u5f93\u6765\u306e\u53e4\u5178\u7684\u8fd1\u4f3c\u624b\u6cd5\u304c\u82e6\u624b\u3068\u3059\u308b\u5f37\u76f8\u95a2\u9818\u57df\u306b\u304a\u3044\u3066\u6709\u52b9\u3067\u3042\u308b\u3053\u3068\u304c\u793a\u5506\u3055\u308c\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E3%81%BE%E3%81%A8%E3%82%81\"><\/span>\u307e\u3068\u3081<span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u672c\u8a18\u4e8b\u3067\u306f\u3001\u5468\u671f\u7684\u306a\u4e00\u6b21\u5143\u6c34\u7d20\u9396\u306b\u5bfe\u3059\u308bVQE\u8a08\u7b97\u3092\u6271\u3063\u305f\u7814\u7a76\u306b\u3064\u3044\u3066\u89e3\u8aac\u3057\u305f\u3002VQE\u306f\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u30d1\u30e9\u30e1\u30fc\u30bf\u5316\u3055\u308c\u305f\u8a66\u884c\u6ce2\u52d5\u95a2\u6570\u3092\u751f\u6210\u3057\u3001\u305d\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u3092\u6e2c\u5b9a\u3057\u306a\u304c\u3089\u3001\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u6700\u9069\u5316\u3059\u308b\u91cf\u5b50\u2013\u53e4\u5178\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u3067\u3042\u308b\u3002\u7279\u306bUCCSD\u578b\u306eansatz\u3092\u7528\u3044\u308b\u3053\u3068\u3067\u3001\u96fb\u5b50\u76f8\u95a2\u3092\u53d6\u308a\u5165\u308c\u305f\u9ad8\u7cbe\u5ea6\u306a\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u8a08\u7b97\u304c\u671f\u5f85\u3055\u308c\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u8ad6\u6587\u3067\u793a\u3055\u308c\u305f\u4e00\u6b21\u5143\u6c34\u7d20\u9396\u306e\u8a08\u7b97\u7d50\u679c\u3067\u306f\u3001\u96a3\u63a5H\u2013H\u9593\u8ddd\u96e2\u304c\u5927\u304d\u304f\u306a\u308a\u3001\u96fb\u5b50\u76f8\u95a2\u306e\u52b9\u679c\u304c\u5f37\u304f\u306a\u308b\u9818\u57df\u306b\u304a\u3044\u3066\u3001RHF\u6cd5\u3001MP2\u6cd5\u3001CCSD\u6cd5\u306a\u3069\u306e\u53e4\u5178\u7684\u8fd1\u4f3c\u624b\u6cd5\u3067\u306fFull CI\u304b\u3089\u306e\u305a\u308c\u304c\u5927\u304d\u304f\u306a\u308b\u3002\u4e00\u65b9\u3001VQE\u306b\u57fa\u3065\u304fbUCCSD-real\u6cd5\u306f\u3001\u5f37\u76f8\u95a2\u9818\u57df\u306b\u304a\u3044\u3066\u3082Full CI\u306b\u8fd1\u3044\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u518d\u73fe\u3057\u3066\u304a\u308a\u3001\u5468\u671f\u7cfb\u306b\u5bfe\u3059\u308b\u91cf\u5b50\u8a08\u7b97\u624b\u6cd5\u306e\u6709\u52b9\u6027\u3092\u793a\u3057\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u305f\u3060\u3057\u3001\u73fe\u5b9f\u306e\u91cf\u5b50\u30c7\u30d0\u30a4\u30b9\u3067\u306f\u3001\u30ce\u30a4\u30ba\u3001\u6e2c\u5b9a\u56de\u6570\u3001\u91cf\u5b50\u30d3\u30c3\u30c8\u6570\u3001\u56de\u8def\u6df1\u3055\u306a\u3069\u306e\u5236\u7d04\u304c\u5b58\u5728\u3059\u308b\u3002\u305d\u306e\u305f\u3081\u3001\u5927\u898f\u6a21\u306a\u56fa\u4f53\u6750\u6599\u8a08\u7b97\u3078\u76f4\u63a5\u5fdc\u7528\u3059\u308b\u306b\u306f\u3001\u307e\u3060\u591a\u304f\u306e\u8ab2\u984c\u304c\u6b8b\u3055\u308c\u3066\u3044\u308b\u3002\u305d\u308c\u3067\u3082\u3001\u5f37\u76f8\u95a2\u96fb\u5b50\u7cfb\u3084\u5f93\u6765\u624b\u6cd5\u3067\u6271\u3044\u306b\u304f\u3044\u7269\u8cea\u7fa4\u306b\u5bfe\u3057\u3066\u3001VQE\u306f\u5c06\u6765\u7684\u306b\u6709\u529b\u306a\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u624b\u6cd5\u3068\u306a\u308b\u53ef\u80fd\u6027\u304c\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u306e\u3088\u3046\u306b\u3001VQE\u306f\u73fe\u6642\u70b9\u3067\u306f\u5b9f\u6a5f\u4e0a\u306e\u5236\u7d04\u3092\u53d7\u3051\u308b\u767a\u5c55\u9014\u4e0a\u306e\u624b\u6cd5\u3067\u3042\u308b\u3082\u306e\u306e\u3001\u5f37\u76f8\u95a2\u96fb\u5b50\u7cfb\u3084\u5468\u671f\u7cfb\u306e\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u306b\u5bfe\u3059\u308b\u65b0\u3057\u3044\u30a2\u30d7\u30ed\u30fc\u30c1\u3068\u3057\u3066\u91cd\u8981\u306a\u7814\u7a76\u5bfe\u8c61\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E5%8F%82%E8%80%83%E6%96%87%E7%8C%AE\"><\/span>\u53c2\u8003\u6587\u732e<span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<ol class=\"wp-block-list\">\n<li>Hafner, J., Wolverton, C., and Ceder, G., \u201cToward Computational Materials Design: The Impact of Density Functional Theory on Materials Research,\u201d <em>MRS Bulletin<\/em> <strong>31<\/strong>, 659\u2013668 (2006).<\/li>\n\n\n\n<li>Hartree, D. R., \u201cThe Wave Mechanics of an Atom with a Non-Coulomb Central Field,\u201d <em>Mathematical Proceedings of the Cambridge Philosophical Society<\/em> <strong>24<\/strong>, 89\u2013110 (1928).<\/li>\n\n\n\n<li>Fock, V., \u201cN\u00e4herungsmethode zur L\u00f6sung des quantenmechanischen Mehrk\u00f6rperproblems,\u201d <em>Zeitschrift f\u00fcr Physik<\/em> <strong>61<\/strong>, 126\u2013148 (1930).<\/li>\n\n\n\n<li>Handy, N. C., \u201cMulti-Root Configuration Interaction Calculations,\u201d <em>Chemical Physics Letters<\/em> <strong>74<\/strong>, 280\u2013283 (1980).<\/li>\n\n\n\n<li>Kohn, W., and Sham, L. J., \u201cSelf-Consistent Equations Including Exchange and Correlation Effects,\u201d <em>Physical Review<\/em> <strong>140<\/strong>, A1133\u2013A1138 (1965).<\/li>\n\n\n\n<li>Peruzzo, A., McClean, J., Shadbolt, P., Yung, M.-H., Zhou, X.-Q., Love, P. J., Aspuru-Guzik, A., and O\u2019Brien, J. L., \u201cA Variational Eigenvalue Solver on a Photonic Quantum Processor,\u201d <em>Nature Communications<\/em> <strong>5<\/strong>, 4213 (2014).<\/li>\n\n\n\n<li>Preskill, J., \u201cQuantum Computing in the NISQ Era and Beyond,\u201d <em>Quantum<\/em> <strong>2<\/strong>, 79 (2018).<\/li>\n\n\n\n<li>Bharti, K., et al., \u201cNoisy Intermediate-Scale Quantum Algorithms,\u201d <em>Reviews of Modern Physics<\/em> <strong>94<\/strong>, 015004 (2022).<\/li>\n\n\n\n<li>O\u2019Malley, P. J. J., et al., \u201cScalable Quantum Simulation of Molecular Energies,\u201d <em>Physical Review X<\/em> <strong>6<\/strong>, 031007 (2016).<\/li>\n\n\n\n<li>Romero, J., Babbush, R., McClean, J. R., Hempel, C., Love, P. J., and Aspuru-Guzik, A., \u201cStrategies for Quantum Computing Molecular Energies Using the Unitary Coupled Cluster Ansatz,\u201d <em>Quantum Science and Technology<\/em> <strong>4<\/strong>, 014008 (2018).<\/li>\n\n\n\n<li>Kandala, A., et al., \u201cHardware-Efficient Variational Quantum Eigensolver for Small Molecules and Quantum Magnets,\u201d <em>Nature<\/em> <strong>549<\/strong>, 242\u2013246 (2017).<\/li>\n\n\n\n<li>Jordan, P., and Wigner, E., \u201c\u00dcber das Paulische \u00c4quivalenzverbot,\u201d <em>Zeitschrift f\u00fcr Physik<\/em> <strong>47<\/strong>, 631\u2013651 (1928).<\/li>\n\n\n\n<li>Cauchy, A., \u201cM\u00e9thode g\u00e9n\u00e9rale pour la r\u00e9solution des syst\u00e8mes d\u2019\u00e9quations simultan\u00e9es,\u201d <em>Comptes Rendus de l\u2019Acad\u00e9mie des Sciences<\/em> <strong>25<\/strong>, 536\u2013538 (1847).<\/li>\n\n\n\n<li>Nelder, J. A., and Mead, R., \u201cA Simplex Method for Function Minimization,\u201d <em>The Computer Journal<\/em> <strong>7<\/strong>, 308\u2013313 (1965).<\/li>\n\n\n\n<li>Powell, M. J. D., \u201cA Direct Search Optimization Method That Models the Objective and Constraint Functions by Linear Interpolation,\u201d in <em>Advances in Optimization and Numerical Analysis<\/em>, 51\u201367 (1994).<\/li>\n\n\n\n<li>Roothaan, C. C. J., \u201cNew Developments in Molecular Orbital Theory,\u201d <em>Reviews of Modern Physics<\/em> <strong>23<\/strong>, 69\u201389 (1951).<\/li>\n\n\n\n<li>Hall, G. G., \u201cThe Molecular Orbital Theory of Chemical Valency. VIII. A Method of Calculating Ionization Potentials,\u201d <em>Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences<\/em> <strong>205<\/strong>, 541\u2013552 (1951).<\/li>\n\n\n\n<li>M\u00f8ller, C., and Plesset, M. S., \u201cNote on an Approximation Treatment for Many-Electron Systems,\u201d <em>Physical Review<\/em> <strong>46<\/strong>, 618\u2013622 (1934).<\/li>\n\n\n\n<li>Purvis, G. D., and Bartlett, R. J., \u201cA Full Coupled-Cluster Singles and Doubles Model: The Inclusion of Disconnected Triples,\u201d <em>The Journal of Chemical Physics<\/em> <strong>76<\/strong>, 1910\u20131918 (1982).<\/li>\n<\/ol>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"Appendex_A\"><\/span><strong>Appendex A<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u7d50\u5408\u30af\u30e9\u30b9\u30bf\u30fc\u6cd5\uff08Coupled Cluster: CC\u6cd5\uff09\u3067\u306f\u3001\u52b1\u8d77\u6f14\u7b97\u5b50 $T$ \u3092\u7528\u3044\u3066 $\\exp(T)$\u3092Hartree\u2013Fock\u6ce2\u52d5\u95a2\u6570\u306b\u4f5c\u7528\u3055\u305b\u308b\u3053\u3068\u3067\u3001Hartree\u2013Fock\u6cd5\u3067\u306f\u8a18\u8ff0\u3067\u304d\u306a\u3044\u96fb\u5b50\u76f8\u95a2\u3092\u975e\u7dda\u5f62\u306b\u53d6\u308a\u8fbc\u3080\u3002\u4f8b\u3048\u3070\u3001\u52b1\u8d77\u6f14\u7b97\u5b50 $T$ \u3068\u3057\u3066\u5358\u4e00\u52b1\u8d77\u304a\u3088\u3073\u4e8c\u91cd\u52b1\u8d77\u306e\u307f\u3092\u8003\u616e\u3057\u305fCCSD\u6cd5\u3067\u3042\u3063\u3066\u3082\u3001$\\exp(T)$\u306e\u5c55\u958b\u306b\u3088\u3063\u3066\u9ad8\u6b21\u52b1\u8d77\u306e\u52b9\u679c\u3092\u90e8\u5206\u7684\u306b\u542b\u3080\u3053\u3068\u304c\u3067\u304d\u308b\u3002\u307e\u305f\u3001\u4e09\u91cd\u52b1\u8d77\u306e\u5bc4\u4e0e\u3092\u6442\u52d5\u8ad6\u7684\u306b\u53d6\u308a\u5165\u308c\u305fCCSD(T)\u6cd5\u306f\u3001\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u306b\u304a\u3051\u308b\u6a19\u6e96\u7684\u306a\u624b\u6cd5\u3068\u3057\u3066\u5e83\u304f\u7528\u3044\u3089\u308c\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u306e\u3088\u3046\u306aCC\u6cd5\u306e\u8003\u3048\u65b9\u3092\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u5229\u7528\u3067\u304d\u308c\u3070\u3001\u9ad8\u7cbe\u5ea6\u306a\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u3078\u306e\u5fdc\u7528\u304c\u671f\u5f85\u3055\u308c\u308b\u3002\u3057\u304b\u3057\u3001\u901a\u5e38\u306eCC\u6cd5\u3067\u7528\u3044\u3089\u308c\u308b\u6307\u6570\u578b\u30af\u30e9\u30b9\u30bf\u30fc\u6f14\u7b97\u5b50 $\\exp(T)$ \u306f\u4e00\u822c\u306b\u306f\u30e6\u30cb\u30bf\u30ea\u30fc\u6f14\u7b97\u5b50\u3067\u306f\u306a\u3044\u305f\u3081\u3001\u305d\u306e\u307e\u307e\u91cf\u5b50\u56de\u8def\u3068\u3057\u3066\u5b9f\u88c5\u3059\u308b\u3053\u3068\u306f\u3067\u304d\u306a\u3044\u3002\u305d\u3053\u3067\u3001\u53cd\u30a8\u30eb\u30df\u30fc\u30c8\u306a\u751f\u6210\u5b50 $T-T^\\dagger$ \u3092\u7528\u3044\u308b\u30e6\u30cb\u30bf\u30ea\u30fc\u7248\u306eCoupled Cluster\u6cd5\u3001\u3059\u306a\u308f\u3061Unitary Coupled Cluster\uff08UCC\uff09\u6cd5\u304c\u91cf\u5b50\u8a08\u7b97\u7528\u306e\u6ce2\u52d5\u95a2\u6570ansatz\u3068\u3057\u3066\u63d0\u6848\u30fb\u5229\u7528\u3055\u308c\u3066\u3044\u308b<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u7d50\u5408\u30af\u30e9\u30b9\u30bf\u30fc\u6cd5\uff08Coupled Cluster: CC\u6cd5\uff09\u3067\u306f\u3001\u52b1\u8d77\u6f14\u7b97\u5b50 T \u3092\u7528\u3044\u3066\u3001\u53c2\u7167\u6ce2\u52d5\u95a2\u6570 $\\ket{\\Phi_0}$ \u306b\u6307\u6570\u578b\u6f14\u7b97\u5b50 \\(e^T\\) \u3092\u4f5c\u7528\u3055\u305b\u308b\u3053\u3068\u3067\u3001\u96fb\u5b50\u76f8\u95a2\u3092\u53d6\u308a\u5165\u308c\u305f\u6ce2\u52d5\u95a2\u6570\u3092\u69cb\u6210\u3059\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\ket{\\Psi_{\\mathrm{CC}}}=e^T\\ket{\\Phi_0}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u4f8b\u3048\u3070\u3001\u52b1\u8d77\u6f14\u7b97\u5b50 $T$ \u3068\u3057\u3066\u5358\u4e00\u52b1\u8d77\u304a\u3088\u3073\u4e8c\u91cd\u52b1\u8d77\u306e\u307f\u3092\u8003\u616e\u3057\u305fCCSD\u6cd5\u3067\u3042\u3063\u3066\u3082\u3001\u6307\u6570\u95a2\u6570 $e^T$ \u306e\u5c55\u958b\u306b\u3088\u308a\u3001\u9ad8\u6b21\u52b1\u8d77\u306e\u52b9\u679c\u3092\u90e8\u5206\u7684\u306b\u542b\u3080\u3053\u3068\u304c\u3067\u304d\u308b\u3002\u307e\u305f\u3001\u4e09\u91cd\u52b1\u8d77\u306e\u5bc4\u4e0e\u3092\u6442\u52d5\u8ad6\u7684\u306b\u53d6\u308a\u5165\u308c\u305fCCSD(T)\u6cd5\u306f\u3001\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u306b\u304a\u3051\u308b\u9ad8\u7cbe\u5ea6\u624b\u6cd5\u3068\u3057\u3066\u5e83\u304f\u7528\u3044\u3089\u308c\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u4e00\u65b9\u3001\u901a\u5e38\u306eCC\u6cd5\u3067\u7528\u3044\u3089\u308c\u308b $e^T$ \u306f\u3001\u4e00\u822c\u306b\u306f\u30e6\u30cb\u30bf\u30ea\u30fc\u6f14\u7b97\u5b50\u3067\u306f\u306a\u3044\u3002\u305d\u306e\u305f\u3081\u3001\u305d\u306e\u307e\u307e\u91cf\u5b50\u56de\u8def\u3068\u3057\u3066\u5b9f\u88c5\u3059\u308b\u3053\u3068\u306f\u96e3\u3057\u3044\u3002\u305d\u3053\u3067\u3001UCC\u6cd5\u3067\u306f\u53cd\u30a8\u30eb\u30df\u30fc\u30c8\u6f14\u7b97\u5b50 $T-T^\\dagger$ \u3092\u7528\u3044\u3066\u3001<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\ket{\\Psi_{\\mathrm{UCC}}}=e^{T-T^\\dagger}\\ket{\\Phi_0}$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3068\u6ce2\u52d5\u95a2\u6570\u3092\u69cb\u6210\u3059\u308b\u3002\u3053\u306e\u3068\u304d\u3001$T-T^\\dagger$ \u306f\u53cd\u30a8\u30eb\u30df\u30fc\u30c8\u3067\u3042\u308b\u305f\u3081\u3001$e^{T-T^\\dagger}$ \u306f\u30e6\u30cb\u30bf\u30ea\u30fc\u6f14\u7b97\u5b50\u3068\u306a\u308b\u3002\u3057\u305f\u304c\u3063\u3066\u3001UCC\u6cd5\u306f\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u5b9f\u88c5\u3057\u3084\u3059\u3044\u6ce2\u52d5\u95a2\u6570ansatz\u3068\u3057\u3066\u5229\u7528\u3055\u308c\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"Appendex_B\"><\/span><strong>Appendex B<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">UCCSD\u6cd5\u306e\u8a08\u7b97\u306e\u8a73\u7d30\u3092\u8f09\u305b\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$T^{\\dagger}$ \u306f $T$ \u306e\u30a8\u30eb\u30df\u30fc\u30c8\u5171\u5f79\u3067\u3042\u308b\u304b\u3089\u3001$T$ \u304c Hartree-Fock \u6ce2\u52d5\u95a2\u6570\u306b\u304a\u3051\u308b\u5360\u6709\u8ecc\u9053\u304b\u3089\u975e\u5360\u6709\u8ecc\u9053\u3078\u306e\u96fb\u5b50\u52b1\u8d77\u3092\u8868\u3059\u306e\u306b\u5bfe\u3057\u3066\u3001$T^{\\dagger}$ \u306f\u975e\u5360\u6709\u8ecc\u9053\u304b\u3089\u5360\u6709\u8ecc\u9053\u3078\u306e\u8131\u52b1\u8d77\u3092\u8868\u3059\u3002VQE \u306b\u3088\u308b UCC \u8a08\u7b97\u3067\u306f$T$\u306e\u5f0f\u306b\u304a\u3044\u3066\u4e8c\u96fb\u5b50\u52b1\u8d77\u6f14\u7b97\u5b50\u307e\u3067\u3092\u542b\u3080 UCCSD\u6ce2\u52d5\u95a2\u6570\u304c\u7528\u3044\u3089\u308c\u308b\u3053\u3068\u304c\u591a\u3044\u3002\u3053\u3053\u3067 $|\\Phi_0\u27e9$ \u304c\u898f\u683c\u5316\u3055\u308c\u3066\u3044\u308b\u5834\u5408\u3001UCC \u30a8\u30cd\u30eb\u30ae\u30fc\u306f\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u8868\u3059\u3053\u3068\u304c\u3067\u304d\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$E_{\\text{UCC}} = \u27e8\\Phi_0| \\exp(\\tau^\\dagger)H \\exp(\\tau)\\Phi_0\u27e9 = \u27e8\\Phi_0| \\exp(\u2212\\tau)H \\exp(\\tau )|\\Phi_0\u27e9$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u3053\u3067 $\\tau^\\dagger = (T \u2212 T^\\dagger)^\\dagger = T^\\dagger \u2212 T = \u2212\\tau$ \u3067\u3042\u308b\u3053\u3068\u3092\u7528\u3044\u305f\u3002\u3053\u306e\u5f0f\u306f\u6b21\u5f0f\u306b\u793a\u3059 Baker-Campbell-Housdorff \u306e\u516c\u5f0f<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\exp(\u2212\\tau)H \\exp(\\tau) = H +[H,\\tau]+ \\frac{1}{2!} [[H,\\tau],\\tau]+ \\frac{1}{3!} [[[H,\\tau],\\tau],\\tau] + \\cdots$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3092\u7528\u3044\u3066\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u8868\u3055\u308c\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$E_{UCC} =\u27e8\\Phi_0|H|\\Phi_0\u27e9+\u27e8\\Phi_0|[H,\u03c4]|\\Phi_0\u27e9+ \\frac{1}{<br>2!} \u27e8\\Phi_0|[[H,\\tau],\\tau]|\\Phi_0\u27e9 + \\cdots$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u3053\u3067\u3001\u666e\u901a\u306e\u6ce2\u52d5\u95a2\u6570\u306e\u6642\u9593\u767a\u5c55\u6f14\u7b97\u5b50\u306f$U =\\exp(\u2212iHt)$ \u306e\u5f62\u306b\u306a\u3063\u3066\u3044\u308b\u305f\u3081\u4f8b\u3048\u3070\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u306e\u4e00\u96fb<br>\u5b50\u9805\u3092$h_{pq}(a^{\\dagger}_{p}a_{q}+a^{\\dagger}_{q}a_{p})$ \u3068\u3044\u3046\u9805\u3068\u3057\u3066\u5b9a\u7fa9\u3057\u305f\u3002\u3053\u308c\u306f$a^{\\dagger}_{p}a_q$ \u306f\u8907\u7d20\u95a2\u6570\u3067\u3042\u308b\u304c\u3001$a^{\\dagger}_{p}a_q+a^{\\dagger}_qa_p$ \u3068\u3044\u3046\u7dda\u5f62\u7d50\u5408\u3092\u53d6\u308b\u3053\u3068\u3067\u865a\u90e8\u304c\u6d88\u3048\u3001\u5b9f\u90e8\u304c\u6b8b\u308b\u304b\u3089\u3067\u3042\u308b\u3002UCC\u6ce2\u52d5\u95a2\u6570\u306b\u304a\u3044\u3066\u52b1\u8d77\u6f14\u7b97\u5b50\u306f$\\exp(\\tau)=\\exp(T \u2212T^\\dagger)$\u3068\u3044\u3046\u5f62\u3092\u3057\u3066\u3044\u308b\u305f\u3081\u3001$\\tau$ \u306f\u7d14\u865a\u6570\u3067\u306a\u3051\u308c\u3070\u306a\u3089\u306a\u3044\u3002\u3064\u307e\u308a\u3001$a^{\\dagger}_aa_i$ \u306f\u5b9f\u90e8\u3092\u6d88\u3059\u305f\u3081\u306b$a^{\\dagger}_aa_i\u2212a^{\\dagger}_ia_a$ \u3068\u3044\u3046\u7dda\u5f62\u7d50\u5408\u3092\u53d6\u308b\u5fc5\u8981\u304c\u3042\u308b\u3002<br>UCC\u6ce2\u52d5\u95a2\u6570\u3092\u751f\u6210\u3059\u308b\u305f\u3081\u306b\u306f\u52b1\u8d77\u6f14\u7b97\u5b50\u306e\u6700\u9069\u5316\u304c\u5fc5\u8981\u3067\u3042\u308a\u3001\u305d\u306e\u305f\u3081\u306b\u306f\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u52b1\u8d77\u632f\u5e45\u3092\u6700\u9069\u5316\u3059\u308b\u5fc5\u8981\u304c\u3042\u308b\u3002\u3053\u306e\u6700\u9069\u5316\u306f\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u884c\u3046\u305f\u3081\u3001VQE\u306f\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3068\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u306e\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u578b\u8a08\u7b97\u30e2\u30c7\u30eb\u3067\u3042\u308b\u3068\u8a00\u3048\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u4e00\u96fb\u5b50\u52b1\u8d77\u00b7\u8131\u52b1\u8d77\u6f14\u7b97\u5b50\u3092Jordan-Wigner\u5909\u63db\u3092\u4f7f\u3063\u3066\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u306e\u7a4d\u306b\u5909\u63db\u3059\u308b\u3068\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u306a\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$t_{ia}(a^{\\dagger}_aa_i \u2212 a^\\dagger_ia_a) = \\frac{i}{2} t_{ia}(X_a \\otimes Z{a\u22121} \\otimes \\cdots \\otimes Z_{i+1} \\otimes Y_i \u2212Y_a \\otimes Z_{a\u22121} \\otimes \\cdots \\otimes Z_{i+1} \\otimes X_i)$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">UCC\u6ce2\u52d5\u95a2\u6570\u751f\u6210\u3067\u53c2\u7167\u6ce2\u52d5\u95a2\u6570\u306b\u52b1\u8d77\u00b7\u00b7\u00b7 \u8131\u52b1\u8d77\u6f14\u7b97\u5b50\u3092\u4f5c\u7528\u3055\u305b\u308b\u3068\u304d\u306f\u30af\u30e9\u30b9\u30bf\u30fc\u6f14\u7b97\u5b50exp(T \u2212T^{\\dagger})\u3092\u30af\u30e9\u30b9\u30bf\u30fc\u6f14\u7b97\u5b50\u306e\u5f62\u3067\u66f8\u304d\u76f4\u3059\u3068\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u306a\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$\\exp(t_{ia}(a^{\\dagger}_aa_i \u2212 a^{\\dagger}_ia_a)) = \\exp( \\frac{i}{2} t_{ia}(X_a \\otimes Z{a\u22121} \\otimes \\cdots \\otimes Z_{i+1} \\otimes Y_i \u2212 Y_a \\otimes Z_{a\u22121} \\otimes \\cdots \\otimes Z_{i+1} \\otimes X_i))$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u306e\u3088\u3046\u306b\u3057\u3066UCC\u6ce2\u52d5\u95a2\u6570\u3092\u751f\u6210\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067UCC\u6ce2\u52d5\u95a2\u6570\u304c\u751f\u6210\u3067\u304d\u305f\u5834\u5408\u3001UCC\u6ce2\u52d5\u95a2\u6570\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u671f\u5f85\u5024\u3092\u6c42\u3081\u308b\u64cd\u4f5c\u3092\u884c\u3046\u3002\u305d\u306e\u305f\u3081\u306b\u7b2c\u4e8c\u91cf\u5b50\u5316\u3057\u305f\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3H \u3092\u91cf\u5b50\u30d3\u30c3\u30c8\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u306b\u66f8\u304d\u76f4\u3059\u5fc5\u8981\u304c\u3042\u308b\u3002\u4f8b\u3068\u3057\u3066H2\u5206\u5b50\u306e\u6700\u5c0f\u57fa\u5e95\u3067\u306e\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u3092Jordan-Wigner\u5909\u63db\u3092\u7528\u3044\u3066\u91cf\u5b50\u30d3\u30c3\u30c8\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u306b\u66f8\u304d\u76f4\u3057\u305f\u3082\u306e\u3092\u4ee5\u4e0b\u306b\u793a\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">$$H=g_0+g_1(Z_1+Z_2)+g_2(Z_3+Z_4)+g_3Z_1Z_2+g_4Z_3Z_4+g_5(Z_1Z_3+Z_2Z_4)<br>+g_6(Z_1Z_4+Z_2Z_3)+g_7(X_1X_2Y_3Y_4+Y_1Y_2X_3X_4\u2212X_1Y_2Y_3X_4\u2212Y_1X_2X_3Y_4)$$<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u3053\u3067$g_0\u223cg_7$\u306f\u5206\u5b50\u7a4d\u5206\u5024\u304b\u3089\u6c42\u307e\u308b\u4fc2\u6570\u3067\u3042\u308b\u3002\u3053\u306e\u5f0f\u306b\u73fe\u308c\u308b\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u306e\u6dfb\u5b57\u306f\u91cf\u5b50\u30d3\u30c3\u30c8\u306e\u30ca\u30f3\u30d0\u30ea\u30f3\u30b0\u3067\u3042\u308a\u30011\u756a\u76ee\u30012\u756a\u76ee\u306e\u91cf\u5b50\u30d3\u30c3\u30c8\u306f\u305d\u308c\u305e\u308c\u7d50\u5408\u6027\u5206\u5b50\u8ecc\u9053\u306e$\\alpha, \\beta$\u30b9\u30d4\u30f3\u8ecc\u9053\u30013\u756a\u76ee\u30014\u756a\u76ee\u306e\u91cf\u5b50\u30d3\u30c3\u30c8\u306f\u305d\u308c\u305e\u308c\u53cd\u7d50\u5408\u6027\u5206\u5b50\u8ecc\u9053\u306e$\\alpha, \\beta$\u30b9\u30d4\u30f3\u8ecc\u9053\u306b\u5bfe\u5fdc\u3057\u3066\u3044\u308b\u3002\u3053\u3053\u3067\u30d1\u30a6\u30ea-Z\u6f14\u7b97\u5b50\u306f$Z=\\begin{pmatrix}<br>1 &amp; 0 \\\\<br>0 &amp;-1<br>\\end{pmatrix}$\u3068\u3057\u3066\u8868\u3055\u308c\u308b\u306e\u3067\u3001\u4f8b\u3048\u3070$g_1Z_1$\u306f1\u756a\u76ee\u306e\u91cf\u5b50\u30d3\u30c3\u30c8\u304c|0\u27e9\u306e\u3068\u304d\u56fa\u6709\u5024$g_1$\u3001|1\u27e9\u306e\u3068\u304d\u56fa\u6709\u5024$\u2212g_1$\u3092\u8fd4\u3059\u3002\u307e\u305f\u3001$g_3Z_1Z_2$\u306f1\u756a\u76ee\u30682\u756a\u76ee\u306e\u91cf\u5b50\u30d3\u30c3\u30c8\u306e\u91cf\u5b50\u72b6\u614b\u304c|00\u27e9\u307e\u305f\u306f|11\u27e9\u306e\u3068\u304d\u56fa\u6709\u5024$g_3$\u3001|01\u27e9\u307e\u305f\u306f|10\u27e9\u306e\u3068\u304d\u56fa\u6709\u5024$\u2212g_3$\u3092\u8fd4\u3059\u3002\u4e00\u822c\u306b\u306f\u30d1\u30a6\u30ea-Z\u6f14\u7b97\u5b50\u306e\u7a4d\u306e\u56fa\u6709\u5024\u306f|1\u27e9\u72b6\u614b\u306b\u3042\u308b\u91cf\u5b50\u30d3\u30c3\u30c8\u306e\u6570\u304c\u5076\u6570\u306e\u3068\u304d\u306f+1\u3001\u5947\u6570\u306e\u3068\u304d\u306f\u22121\u3068\u306a\u308b\u3002\u305d\u3057\u3066\u30d1\u30a6\u30ea-X\u6f14\u7b97\u5b50\u3068\u30d1\u30a6\u30ea-Y\u6f14\u7b97\u5b50\u306f\u305d\u308c\u305e\u308c$R_y(-\\frac{\u03c0}{2}),R_x(\\frac{\u03c0}{2})$\u30b2\u30fc\u30c8\u3092\u4f7f\u3063\u3066X\u57fa\u5e95\u3001Y\u57fa\u5e95\u3092Z\u57fa\u5e95\u306b\u5909\u63db\u3057\u3001\u5bfe\u5fdc\u3059\u308b\u91cf\u5b50\u30d3\u30c3\u30c8\u306e\u91cf\u5b50\u72b6\u614b\u304c|0\u27e9\u3067\u3042\u308b\u304b|1\u27e9\u3067\u3042\u308b\u304b\u306b\u3088\u3063\u3066\u5224\u5b9a\u3059\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">UCC\u6cd5\u3092\u7528\u3044\u305fVQE\u3067\u306fUCC\u6ce2\u52d5\u95a2\u6570\u306e\u751f\u6210\u3068\u6e2c\u5b9a\u3092\u7e70\u308a\u8fd4\u3057\u3001\u91cf\u5b50\u30d3\u30c3\u30c8\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u306b\u542b\u307e\u308c\u308b\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u306e\u7a4d\u306e\u671f\u5f85\u5024\u3092\u6c42\u3081\u308b\u3002\u307e\u305f\u3001\u5206\u5b50\u7a4d\u5206\u5024\u3092VQE\u306e\u5b9f\u884c\u524d\u306b\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3067\u8a08\u7b97\u3092\u884c\u3046\u3053\u3068\u3067\u6c42\u3081\u3001\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u306e\u7a4d\u306e\u671f\u5f85\u5024\u306b\u5206\u5b50\u7a4d\u5206\u5024\u304b\u3089\u6c42\u3081\u305f\u4fc2\u6570\u3092\u304b\u3051\u308b\u3053\u3068\u3067\u91cf\u5b50\u30d3\u30c3\u30c8\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u306e\u5404\u9805\u306e\u671f\u5f85\u5024\u304c\u7b97\u51fa\u3055\u308c\u3001UCC\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8a08\u7b97\u3067\u304d\u308b\u3002\u30d1\u30a6\u30ea\u6f14\u7b97\u5b50\u306e\u7a4d\u306e\u671f\u5f85\u5024\u3092\u8a08\u7b97\u3059\u308b\u305f\u3081\u306b\u306f\u6e2c\u5b9a\u3092\u7e70\u308a\u8fd4\u3059\u3053\u3068\u304c\u5fc5\u8981\u3060\u304c\u3001\u6e2c\u5b9a\u56de\u6570\u304c\u5c11\u306a\u3051\u308c\u3070\u7d71\u8a08\u8aa4\u5dee\u304c\u5927\u304d\u304f\u306a\u308b\u3002\u3057\u304b\u3057\u3001\u7121\u9650\u56de\u306e\u6e2c\u5b9a\u3092\u884c\u3046\u3053\u3068\u306f\u3067\u304d\u306a\u3044\u305f\u3081\u3001\u76ee\u5b89\u3068\u3057\u3066\u91cf\u5b50\u30d3\u30c3\u30c8\u30cf\u30df\u30eb\u30c8\u30cb\u30a2\u30f3\u5404\u9805\u306b\u304b\u304b\u308b\u4fc2\u6570\u306e\u7d76\u5bfe\u5024\u304c\u6700\u5927\u306e\u3082\u306e\u3092$w_{\\text{max}}$\u3068\u3059\u308b\u3068\u30a8\u30cd\u30eb\u30ae\u30fc\u8a08\u7b97\u5024\u306e\u8aa4\u5dee\u3092\u03b5\u4ee5\u4e0b\u306b\u3059\u308b\u305f\u3081\u306b$O(|w_{\\text{max}}|^2\/\u03b5)$\u56de\u7a0b\u5ea6\u306e\u6e2c\u5b9a\u3092\u7e70\u308a\u8fd4\u3059\u3053\u3068\u304c\u63a8\u5968\u3055\u308c\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E3%82%AD%E3%83%BC%E3%83%AF%E3%83%BC%E3%83%89%E3%81%BE%E3%81%A8%E3%82%81\"><\/span>\u30ad\u30fc\u30ef\u30fc\u30c9\u307e\u3068\u3081<span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<ul class=\"wp-block-list\">\n<li>VQE VQE\uff08Variational Quantum Eigensolver\uff09\u306f\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3068\u53e4\u5178\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3092\u7d44\u307f\u5408\u308f\u305b\u305f\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u578b\u306e\u5909\u5206\u91cf\u5b50\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u3067\u3042\u308a\u3001\u91cf\u5b50\u7cfb\u306e\u57fa\u5e95\u72b6\u614b\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8fd1\u4f3c\u7684\u306b\u6c42\u3081\u308b\u3053\u3068\u3092\u76ee\u7684\u3068\u3059\u308b\u3002\u672c\u624b\u6cd5\u3067\u306f\u3001\u30d1\u30e9\u30e1\u30fc\u30bf\u5316\u3055\u308c\u305f\u91cf\u5b50\u56de\u8def\u306b\u3088\u3063\u3066\u8a66\u884c\u6ce2\u52d5\u95a2\u6570\u3092\u751f\u6210\u3057\u3001\u305d\u306e\u671f\u5f85\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u4e0a\u3067\u8a55\u4fa1\u3059\u308b\u3002\u5f97\u3089\u308c\u305f\u30a8\u30cd\u30eb\u30ae\u30fc\u5024\u306b\u57fa\u3065\u304d\u3001\u53e4\u5178\u6700\u9069\u5316\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u3092\u7528\u3044\u3066\u56de\u8def\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u53cd\u5fa9\u7684\u306b\u66f4\u65b0\u3059\u308b\u3053\u3068\u3067\u3001\u5909\u5206\u539f\u7406\u306b\u5f93\u3063\u3066\u57fa\u5e95\u72b6\u614b\u3078\u3068\u53ce\u675f\u3055\u305b\u308b\u3002VQE\u306f\u3001\u6bd4\u8f03\u7684\u5c11\u306a\u3044\u91cf\u5b50\u30d3\u30c3\u30c8\u6570\u304a\u3088\u3073\u6d45\u3044\u91cf\u5b50\u56de\u8def\u3067\u5b9f\u88c5\u53ef\u80fd\u3067\u3042\u308b\u305f\u3081\u3001NISQ\uff08Noisy Intermediate-Scale Quantum\uff09\u30c7\u30d0\u30a4\u30b9\u306b\u9069\u3057\u305f\u624b\u6cd5\u3068\u3057\u3066\u5e83\u304f\u7814\u7a76\u3055\u308c\u3066\u3044\u308b\u3002<\/li>\n\n\n\n<li>\u30b7\u30e5\u30ec\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f \u30b7\u30e5\u30ec\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f\u306f\u3001\u91cf\u5b50\u529b\u5b66\u306b\u304a\u3051\u308b\u57fa\u672c\u65b9\u7a0b\u5f0f\u3067\u3042\u308a\u3001\u91cf\u5b50\u7cfb\u306e\u72b6\u614b\u304a\u3088\u3073\u305d\u306e\u6642\u9593\u767a\u5c55\u3092\u8a18\u8ff0\u3059\u308b\u3002\u6ce2\u52d5\u95a2\u6570\u3092\u672a\u77e5\u95a2\u6570\u3068\u3059\u308b\u504f\u5fae\u5206\u65b9\u7a0b\u5f0f\u3068\u3057\u3066\u5b9a\u5f0f\u5316\u3055\u308c\u3001\u7c92\u5b50\u306e\u904b\u52d5\u3084\u76f8\u4e92\u4f5c\u7528\u3092\u91cf\u5b50\u529b\u5b66\u7684\u306b\u8868\u73fe\u3059\u308b\u57fa\u76e4\u3092\u4e0e\u3048\u308b\u3002\u7279\u306b\u3001\u6642\u9593\u306b\u4f9d\u5b58\u3057\u306a\u3044\u30b7\u30e5\u30ec\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f\u3092\u89e3\u304f\u3053\u3068\u3067\u3001\u7cfb\u306e\u56fa\u6709\u30a8\u30cd\u30eb\u30ae\u30fc\u304a\u3088\u3073\u5bfe\u5fdc\u3059\u308b\u56fa\u6709\u72b6\u614b\u3092\u6c42\u3081\u308b\u3053\u3068\u304c\u3067\u304d\u308b\u3002\u305d\u306e\u305f\u3081\u3001\u539f\u5b50\u30fb\u5206\u5b50\u30fb\u56fa\u4f53\u306a\u3069\u306e\u96fb\u5b50\u72b6\u614b\u89e3\u6790\u306b\u304a\u3044\u3066\u4e2d\u5fc3\u7684\u306a\u5f79\u5272\u3092\u679c\u305f\u3057\u3066\u3044\u308b\u3002<\/li>\n\n\n\n<li>\u7b2c\u4e00\u539f\u7406\u8a08\u7b97 \u7b2c\u4e00\u539f\u7406\u8a08\u7b97\uff08ab initio calculation\uff09\u306f\u3001\u7d4c\u9a13\u7684\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u7528\u3044\u308b\u3053\u3068\u306a\u304f\u3001\u91cf\u5b50\u529b\u5b66\u306e\u57fa\u672c\u6cd5\u5247\u306b\u57fa\u3065\u3044\u3066\u7269\u8cea\u306e\u96fb\u5b50\u72b6\u614b\u3084\u7269\u6027\u3092\u4e88\u6e2c\u3059\u308b\u8a08\u7b97\u624b\u6cd5\u3067\u3042\u308b\u3002\u4e00\u822c\u306b\u3001\u591a\u96fb\u5b50\u7cfb\u306b\u5bfe\u3059\u308b\u30b7\u30e5\u30ec\u30c7\u30a3\u30f3\u30ac\u30fc\u65b9\u7a0b\u5f0f\u3092\u8fd1\u4f3c\u7684\u306b\u89e3\u304f\u3053\u3068\u3067\u3001\u539f\u5b50\u914d\u7f6e\u3084\u96fb\u5b50\u5bc6\u5ea6\u3001\u5168\u30a8\u30cd\u30eb\u30ae\u30fc\u306a\u3069\u3092\u8a55\u4fa1\u3059\u308b\u3002\u4ee3\u8868\u7684\u306a\u624b\u6cd5\u3068\u3057\u3066\u5bc6\u5ea6\u6c4e\u95a2\u6570\u7406\u8ad6\uff08Density Functional Theory: DFT\uff09\u304c\u5e83\u304f\u5229\u7528\u3055\u308c\u3066\u3044\u308b\u3002\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306f\u3001\u6750\u6599\u8a2d\u8a08\u3001\u89e6\u5a92\u958b\u767a\u3001\u534a\u5c0e\u4f53\u7814\u7a76\u306a\u3069\u3001\u591a\u69d8\u306a\u5206\u91ce\u306b\u304a\u3044\u3066\u91cd\u8981\u306a\u89e3\u6790\u624b\u6cd5\u3068\u3057\u3066\u4f4d\u7f6e\u4ed8\u3051\u3089\u308c\u3066\u3044\u308b\u3002<\/li>\n\n\n\n<li>\u91cf\u5b50\u5316\u5b66\u8a08\u7b97 \u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u306f\u3001\u91cf\u5b50\u529b\u5b66\u306b\u57fa\u3065\u3044\u3066\u5206\u5b50\u7cfb\u306e\u96fb\u5b50\u72b6\u614b\u3092\u7406\u8ad6\u7684\u306b\u89e3\u6790\u3059\u308b\u8a08\u7b97\u624b\u6cd5\u306e\u7dcf\u79f0\u3067\u3042\u308b\u3002\u5206\u5b50\u8ecc\u9053\u6cd5\u3084\u914d\u7f6e\u9593\u76f8\u4e92\u4f5c\u7528\u6cd5\u3001\u7d50\u5408\u30af\u30e9\u30b9\u30bf\u30fc\u6cd5\u306a\u3069\u306e\u624b\u6cd5\u3092\u7528\u3044\u3066\u3001\u5206\u5b50\u69cb\u9020\u3001\u53cd\u5fdc\u30a8\u30cd\u30eb\u30ae\u30fc\u3001\u96fb\u5b50\u5206\u5e03\u304a\u3088\u3073\u52b1\u8d77\u72b6\u614b\u306a\u3069\u3092\u8a55\u4fa1\u3059\u308b\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u5316\u5b66\u7d50\u5408\u306e\u5f62\u6210\u6a5f\u69cb\u3084\u5316\u5b66\u53cd\u5fdc\u306e\u9032\u884c\u904e\u7a0b\u3092\u539f\u5b50\u30fb\u96fb\u5b50\u30ec\u30d9\u30eb\u3067\u7406\u89e3\u3059\u308b\u3053\u3068\u304c\u53ef\u80fd\u3068\u306a\u308b\u3002\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u306f\u3001\u65b0\u898f\u5206\u5b50\u306e\u8a2d\u8a08\u3001\u53cd\u5fdc\u6a5f\u69cb\u306e\u89e3\u660e\u3001\u304a\u3088\u3073\u6750\u6599\u30fb\u533b\u85ac\u54c1\u958b\u767a\u306b\u304a\u3044\u3066\u91cd\u8981\u306a\u5f79\u5272\u3092\u62c5\u3063\u3066\u3044\u308b\u3002<\/li>\n<\/ul>\n\n\n\n<h2 class=\"wp-block-heading\"><span class=\"ez-toc-section\" id=\"%E3%81%82%E3%81%A8%E3%81%8C%E3%81%8D\"><\/span><strong>\u3042\u3068\u304c\u304d<\/strong><span class=\"ez-toc-section-end\"><\/span><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u306e\u8ad6\u6587\u3092\u8aad\u3093\u3067\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3092\u6d3b\u7528\u3057\u305f\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306e\u7814\u7a76\u304c\u3059\u3067\u306b\u9032\u3081\u3089\u308c\u3066\u3044\u308b\u3053\u3068\u3092\u521d\u3081\u3066\u77e5\u308a\u307e\u3057\u305f\u3002\u672c\u8ad6\u6587\u3067\u306f\u3001\u7c21\u5358\u306a\u5468\u671f\u7cfb\u3092\u5bfe\u8c61\u306b\u3001\u6bd4\u8f03\u7684\u9ad8\u3044\u7cbe\u5ea6\u3068\u8a08\u7b97\u52b9\u7387\u3092\u4e21\u7acb\u3057\u305f\u8a08\u7b97\u304c\u5b9f\u73fe\u3055\u308c\u3066\u304a\u308a\u3001\u91cf\u5b50\u8a08\u7b97\u3092\u7269\u8cea\u79d1\u5b66\u3078\u5fdc\u7528\u3059\u308b\u53ef\u80fd\u6027\u3092\u611f\u3058\u307e\u3057\u305f\u3002\u4eca\u5f8c\u3001\u8868\u9762\u3084\u6b20\u9665\u69cb\u9020\u306e\u3088\u3046\u306a\u3088\u308a\u8907\u96d1\u306a\u7cfb\u306b\u5bfe\u3057\u3066\u3082\u3001VQE\u3092\u7528\u3044\u305f\u8a08\u7b97\u306e\u52b9\u7387\u5316\u304c\u5b9f\u73fe\u3055\u308c\u308b\u3053\u3068\u3092\u671f\u5f85\u3057\u306a\u304c\u3089\u3001\u3053\u306e\u5206\u91ce\u306b\u3064\u3044\u3066\u3055\u3089\u306b\u52c9\u5f37\u3057\u3066\u3044\u304d\u305f\u3044\u3068\u601d\u3044\u307e\u3059\u3002<\/p>\n\n\n<div class=\"sabox-plus-item\"><div class=\"saboxplugin-wrap\" itemtype=\"http:\/\/schema.org\/Person\" itemscope itemprop=\"author\"><div class=\"saboxplugin-tab\"><div class=\"saboxplugin-gravatar\"><img alt='\u9ed2\u5d0e\u771f\u592a\u90ce' src='https:\/\/secure.gravatar.com\/avatar\/924d7a8b037db0933d8e3135d7854a070439fec2bb8f7c059b13326b353dc53e?s=100&#038;d=mm&#038;r=g' srcset='https:\/\/secure.gravatar.com\/avatar\/924d7a8b037db0933d8e3135d7854a070439fec2bb8f7c059b13326b353dc53e?s=200&#038;d=mm&#038;r=g 2x' class='avatar avatar-100 photo' height='100' width='100' itemprop=\"image\"\/><\/div><div class=\"saboxplugin-authorname\"><a href=\"https:\/\/qard.is.tohoku.ac.jp\/T-Wave\/author\/shintaro-kurosaki\/\" class=\"vcard author\" rel=\"author\"><span class=\"fn\">\u9ed2\u5d0e\u771f\u592a\u90ce<\/span><\/a><\/div><div class=\"saboxplugin-desc\"><div itemprop=\"description\"><p>\u6771\u4eac\u79d1\u5b66\u5927\u5b66\u7269\u8cea\u7406\u5de5\u5b66\u9662\u6750\u6599\u7cfb\u5b66\u58eb\u8ab2\u7a0b<\/p>\n<\/div><\/div><div class=\"clearfix\"><\/div><\/div><\/div><\/div>\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u672c\u8a18\u4e8b\u3067\u306f\u3001\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306b\u3088\u308b\u96fb\u5b50\u72b6\u614b\u89e3\u6790\u306e\u57fa\u672c\u3092\u6982\u8aac\u3057\u3001\u91cf\u5b50\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u3092\u7528\u3044\u305fVariational Quantum Eigensolver\uff08VQE\uff09\u306b\u6ce8\u76ee\u3059\u308b\u3002\u5468\u671f\u7684\u4e00\u6b21\u5143\u6c34\u7d20\u9396\u3092\u5bfe\u8c61\u3068\u3057\u305f\u8ad6\u6587\u3092\u53d6\u308a\u4e0a\u3052\u3001\u5f37\u76f8\u95a2\u9818\u57df\u306b\u304a\u3051\u308bVQE\u306e\u6709\u52b9\u6027\u3068\u3001UCCSD\u578b\u624b\u6cd5\u306b\u3088\u308b\u8a08\u7b97\u7d50\u679c\u3092\u89e3\u8aac\u3059\u308b\u3002<\/p>\n","protected":false},"author":36,"featured_media":9302,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[3],"tags":[322,91,320,149,321],"class_list":["post-9170","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-review","tag-vqe","tag-91","tag-320","tag-149","tag-321"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.0 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ 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