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Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model

✍ Scribed by Scalmani, Giovanni; Frisch, Michael J.; Mennucci, Benedetta; Tomasi, Jacopo; Cammi, Roberto; Barone, Vincenzo


Book ID
120029320
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
562 KB
Volume
124
Category
Article
ISSN
0021-9606

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## Abstract Dressed Time‐Dependent Density Functional Theory (Maitra et al., J Chem Phys 2004, 120, 5932) is applied to selected linear polyenes. Limits of validity of the approximation are briefly discussed. The implementation strategy is described. Results for the 2^1^__B__~__u__~ and 2^1^__A__~_