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Many-body methods for excited state potential energy surfaces. I. General theory of energy gradients for the equation-of-motion coupled-cluster method

✍ Scribed by Stanton, John F.


Book ID
111862194
Publisher
American Institute of Physics
Year
1993
Tongue
English
Weight
906 KB
Volume
99
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 (MiertuΕ‘