Two triple excitation equation-of-motion coupled-cluster (EOM-CC) methods for excitation energies are derived, implemented, and tested. They are excited state analogues of the CC singles, doubles, and linearized triples (CCSDT-1) iterative method and the CCSD method with a noniterative inclusion of
β¦ LIBER β¦
Many-body methods for excited state potential energy surfaces. I. General theory of energy gradients for the equation-of-motion coupled-cluster method
β 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
- DOI
- 10.1063/1.465552
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## Abstract The theory for the analytical energy gradients of excited electronic state described by equation of motion coupedβcluster method (EOMβCC) (Stanton, J Chem Phys, 1993, 99, 8840) has been generalized to molecules in solution within the polarizable continuum model (PCM) framework (MiertuΕ‘
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