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CASPT2//CASSCF and TDDFT//CASSCF Mapping of the Excited State Isomerization Path of a Minimal Model of the Retinal Chromophore

✍ Scribed by Fantacci, Simona; Migani, Annapaola; Olivucci, Massimo

Book ID
120938755
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
103 KB
Volume
108
Category
Article
ISSN
1089-5639

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## Abstract The possibility of population of the lowest‐lying triplet state (__T__~1~) in the early events of the photochemical isomerization process of a model chromophore of Rhodopsin (Rh) has been analyzed using multireference perturbation theory (CASPT2//CASSCF) methods. It is shown that the ch