{"id":1773,"date":"2019-05-22T02:47:44","date_gmt":"2019-05-22T02:47:44","guid":{"rendered":"http:\/\/www.meetyoucarbide.com\/single-post-the-first-lesson-that-needs-to-be-mastered-in-first-principles-calculations-an-overview-of-the-basic-theory-and-development-of-dft\/"},"modified":"2020-05-04T13:12:06","modified_gmt":"2020-05-04T13:12:06","slug":"the-first-lesson-that-needs-to-be-mastered-in-first-principles-calculations-an-overview-of-the-basic-theory-and-development-of-dft","status":"publish","type":"post","link":"https:\/\/www.meetyoucarbide.com\/ru\/%d0%bf%d0%b5%d1%80%d0%b2%d1%8b%d0%b9-%d1%83%d1%80%d0%be%d0%ba-%d0%ba%d0%be%d1%82%d0%be%d1%80%d1%8b%d0%b9-%d0%bd%d0%b5%d0%be%d0%b1%d1%85%d0%be%d0%b4%d0%b8%d0%bc%d0%be-%d0%be%d1%81%d0%b2%d0%be%d0%b8\/","title":{"rendered":"\u041f\u0435\u0440\u0432\u044b\u0439 \u0443\u0440\u043e\u043a, \u043a\u043e\u0442\u043e\u0440\u044b\u0439 \u043d\u0435\u043e\u0431\u0445\u043e\u0434\u0438\u043c\u043e \u043e\u0441\u0432\u043e\u0438\u0442\u044c \u0432 \u0432\u044b\u0447\u0438\u0441\u043b\u0435\u043d\u0438\u044f\u0445 \u0438\u0437 \u043f\u0435\u0440\u0432\u044b\u0445 \u043f\u0440\u0438\u043d\u0446\u0438\u043f\u043e\u0432: \u043e\u0431\u0437\u043e\u0440 \u0431\u0430\u0437\u043e\u0432\u043e\u0439 \u0442\u0435\u043e\u0440\u0438\u0438 \u0438 \u0440\u0430\u0437\u0432\u0438\u0442\u0438\u044f DFT"},"content":{"rendered":"
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Density Functional Theory (DFT) has been widely used in the fields of condensed matter physics, materials science, quantum chemistry and life sciences as an approximation method for dealing with multi-particle systems. For example, Figure 1(c) is a 72-atom supercell structure calculated using the DFT method [1]. The DFT-based material science computational simulation method can not…<\/p>","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[79],"tags":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/posts\/1773"}],"collection":[{"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/comments?post=1773"}],"version-history":[{"count":0,"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/posts\/1773\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/media?parent=1773"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/categories?post=1773"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.meetyoucarbide.com\/ru\/wp-json\/wp\/v2\/tags?post=1773"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}