## 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‘
β¦ LIBER β¦
Coupled-cluster theory for the polarizable continuum model. III. A response theory for molecules in solution
β Scribed by R. Cammi
- Book ID
- 111644606
- Publisher
- John Wiley and Sons
- Year
- 2012
- Tongue
- English
- Weight
- 191 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0020-7608
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