{"id":333505,"date":"2017-06-20T11:42:20","date_gmt":"2017-06-20T15:42:20","guid":{"rendered":"https:\/\/www.sciencedaily.com\/releases\/2017\/06\/170620114220.htm"},"modified":"2017-06-20T11:42:20","modified_gmt":"2017-06-20T15:42:20","slug":"illuminating-a-better-way-to-calculate-excitation-energy-2","status":"publish","type":"post","link":"https:\/\/spaceweekly.com\/?p=333505","title":{"rendered":"Illuminating a better way to calculate excitation energy"},"content":{"rendered":"<p>Researchers have demonstrated a new method to calculate excitation energies. They used a new approach based on density functional methods, which use an atom-by-atom approach to calculate electronic interactions. By analyzing a benchmark set of small molecules and oligomers, their functional produced more accurate estimates of excitation energy compared to other commonly used density functionals, while requiring less computing power. <\/p>\n","protected":false},"excerpt":{"rendered":"<p>Researchers have demonstrated a new method to calculate excitation energies. They used a new approach based on density functional methods, which use an atom-by-atom approach to calculate electronic interactions. By analyzing a benchmark set of small mo&#8230;<\/p>\n","protected":false},"author":61,"featured_media":615444,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[],"tags":[],"class_list":["post-333505","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry"],"_links":{"self":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/333505","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/users\/61"}],"replies":[{"embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=333505"}],"version-history":[{"count":1,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/333505\/revisions"}],"predecessor-version":[{"id":333506,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/333505\/revisions\/333506"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/media\/615444"}],"wp:attachment":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=333505"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=333505"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=333505"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}