{"id":214,"date":"2026-01-22T11:42:02","date_gmt":"2026-01-22T10:42:02","guid":{"rendered":"https:\/\/people.unipi.it\/lorenzo_cupellini\/?p=214"},"modified":"2026-01-22T11:42:08","modified_gmt":"2026-01-22T10:42:08","slug":"assessing-linear-response-theory-for-excited-state-absorption","status":"publish","type":"post","link":"https:\/\/people.unipi.it\/lorenzo_cupellini\/assessing-linear-response-theory-for-excited-state-absorption\/","title":{"rendered":"Assessing Linear Response theory for excited state absorption"},"content":{"rendered":"
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\"\"<\/a><\/figure>\n<\/div>\n\n\n

Excited state absorption<\/strong> is an important nonlinear optical process. Studying this process with quantum chemical methods is fairly complex, as methods beyond linear response<\/em> TD-DFT are needed. With some approximations though, linear response can be used to calculate the excited state absorption intensities. How crude are these approximations? In this collaboration with Prof. Denis Jacquemin and Prof. Boris Le Guennic, we systematically address the shortcomings of the linear response approximation, determine its range of applicability, and propose simple corrections. <\/p>\n\n\n\n

J. \u0160ir\u016f\u010dek, B. Le Guennic, L. Cupellini, D. Jacquemin
Shortcomings of Linear-Response TD-DFT for ESA Oscillator Strength Calculations<\/strong>
J. Chem. Theory Comput. <\/em>2026<\/strong>, 22<\/em>, 502\u2013512 DOI: 10.1021\/acs.jctc.5c01770<\/a><\/p>\n\n\n\n

<\/p>\n","protected":false},"excerpt":{"rendered":"

Excited state absorption is an important nonlinear optical process. Studying this process with quantum chemical methods is fairly complex, as…<\/p>\n

Leggi tutto…<\/a><\/p>\n","protected":false},"author":763,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[3],"tags":[],"class_list":["post-214","post","type-post","status-publish","format-standard","hentry","category-news"],"acf":[],"featured_image_src":null,"author_info":{"display_name":"a020024","author_link":"https:\/\/people.unipi.it\/lorenzo_cupellini\/author\/a020024\/"},"yoast_head":"\nAssessing Linear Response theory for excited state absorption - Lorenzo Cupellini<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/people.unipi.it\/lorenzo_cupellini\/assessing-linear-response-theory-for-excited-state-absorption\/\" \/>\n<meta property=\"og:locale\" content=\"it_IT\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Assessing Linear Response theory for excited state absorption - Lorenzo Cupellini\" \/>\n<meta property=\"og:description\" content=\"Excited state absorption is an important nonlinear optical process. 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