{"id":226403,"date":"2025-12-03T12:02:47","date_gmt":"2025-12-03T18:02:47","guid":{"rendered":"https:\/\/lifeboat.com\/blog\/2025\/12\/bridging-the-gap-between-molecules-and-materials-in-quantum-chemistry-with-localized-active-spaces"},"modified":"2025-12-03T12:02:47","modified_gmt":"2025-12-03T18:02:47","slug":"bridging-the-gap-between-molecules-and-materials-in-quantum-chemistry-with-localized-active-spaces","status":"publish","type":"post","link":"https:\/\/lifeboat.com\/blog\/2025\/12\/bridging-the-gap-between-molecules-and-materials-in-quantum-chemistry-with-localized-active-spaces","title":{"rendered":"Bridging the gap between molecules and materials in quantum chemistry with localized active spaces"},"content":{"rendered":"<p><a class=\"aligncenter blog-photo\" href=\"https:\/\/lifeboat.com\/blog.images\/bridging-the-gap-between-molecules-and-materials-in-quantum-chemistry-with-localized-active-spaces.jpg\"><\/a><\/p>\n<p>Emerging materials between molecules and materials demand new modeling approaches. Here, the authors present a localized active space approach that enables accurate and efficient band structure calculations to capture long-range charge and energy transfer in correlated materials.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Emerging materials between molecules and materials demand new modeling approaches. Here, the authors present a localized active space approach that enables accurate and efficient band structure calculations to capture long-range charge and energy transfer in correlated materials.<\/p>\n","protected":false},"author":511,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[19,1497,1617,8],"tags":[],"class_list":["post-226403","post","type-post","status-publish","format-standard","hentry","category-chemistry","category-energy","category-quantum-physics","category-space"],"_links":{"self":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/226403","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/users\/511"}],"replies":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/comments?post=226403"}],"version-history":[{"count":0,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/226403\/revisions"}],"wp:attachment":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/media?parent=226403"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/categories?post=226403"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/tags?post=226403"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}