{"id":668,"date":"2024-09-18T13:46:53","date_gmt":"2024-09-18T04:46:53","guid":{"rendered":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/?page_id=668"},"modified":"2025-05-29T05:11:11","modified_gmt":"2025-05-28T20:11:11","slug":"en-research","status":"publish","type":"page","link":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/en\/en-research\/","title":{"rendered":"Research"},"content":{"rendered":"\n<h2 class=\"wp-block-heading\">New development of ab initio calculation methods<\/h2>\n\n\n\n<h3 class=\"wp-block-heading\"><em>Ab initio<\/em>&nbsp;multi component molecular orbital (MC_MO) method<\/h3>\n\n\n\n<p>We have extended the concept of molecular orbital to the motion of proton or positron.<\/p>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"aligncenter size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"333\" height=\"150\" src=\"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-content\/uploads\/mcmo1.png\" alt=\"\" class=\"wp-image-429\" srcset=\"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-content\/uploads\/mcmo1.png 333w, https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-content\/uploads\/mcmo1-300x135.png 300w\" sizes=\"auto, (max-width: 333px) 100vw, 333px\" \/><\/figure><\/div>\n\n\n<p><\/p>\n\n\n\n<h3 class=\"wp-block-heading\"><em>Ab initio<\/em>&nbsp;path integral simulation (PI) method<\/h3>\n\n\n\n<p>We have achieved full quantum treatment of molecular systems by using&nbsp;<em>ab initio<\/em>&nbsp;method and path integral technique for electron and nuclei, respectively.<\/p>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"aligncenter size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"600\" height=\"153\" src=\"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-content\/uploads\/pimd1.png\" alt=\"\" class=\"wp-image-433\" srcset=\"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-content\/uploads\/pimd1.png 600w, https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-content\/uploads\/pimd1-300x77.png 300w\" sizes=\"auto, (max-width: 600px) 100vw, 600px\" \/><\/figure><\/div>\n\n\n<p><\/p>\n\n\n\n<h3 class=\"wp-block-heading\"><em>Ab initio<\/em>&nbsp;multi component quantum Monte Carlo (MC_QMC) method<\/h3>\n\n\n\n<p>We have also extended quantum Monte Carlo (QMC) method, one of the most accurate&nbsp;<em>ab initio<\/em>&nbsp;method, to the multicomponent systems.<\/p>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"aligncenter size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"291\" height=\"150\" src=\"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-content\/uploads\/image.png\" alt=\"\" class=\"wp-image-671\" style=\"width:450px;height:auto\"\/><\/figure><\/div>\n\n\n<h2 class=\"wp-block-heading\">Publications<\/h2>\n\n\n\n<p class=\"has-text-align-center\"><a href=\"..\/publication\">Publication<\/a><\/p>\n\n\n\n<p class=\"has-text-align-center\"><a href=\"..\/proceeding\">Proceeding<\/a><\/p>\n\n\n\n<p class=\"has-text-align-center\"><a href=\"..\/review\">Review<\/a><\/p>\n\n\n\n<p class=\"has-text-align-center\"><a href=\"..\/presentation\">Presentation<\/a><\/p>\n\n\n\n<p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>New development of ab initio calculation methods Ab initio&nbsp;multi component molecular orbital (MC_MO) meth&hellip; <br \/> <a class=\"read-more\" href=\"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/en\/en-research\/\">\u7d9a\u304d\u3092\u8aad\u3080<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":575,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-668","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/pages\/668","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/comments?post=668"}],"version-history":[{"count":13,"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/pages\/668\/revisions"}],"predecessor-version":[{"id":765,"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/pages\/668\/revisions\/765"}],"up":[{"embeddable":true,"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/pages\/575"}],"wp:attachment":[{"href":"https:\/\/www-user.yokohama-cu.ac.jp\/~tachi\/wp-json\/wp\/v2\/media?parent=668"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}