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Analytic evaluation of the nonadiabatic coupling vector between excited states using equation-of-motion coupled-cluster theory

✍ Scribed by Tajti, Attila; Szalay, Péter G.


Book ID
120436723
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
527 KB
Volume
131
Category
Article
ISSN
0021-9606

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## Abstract The theory for the analytical energy gradients of excited electronic state described by equation of motion couped‐cluster method (EOM‐CC) (Stanton, J Chem Phys, 1993, 99, 8840) has been generalized to molecules in solution within the polarizable continuum model (PCM) framework (Miertuš