Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations
β Scribed by Lipparini, Filippo; Scalmani, Giovanni; Mennucci, Benedetta; Frisch, Michael J.
- Book ID
- 120382813
- Publisher
- American Chemical Society
- Year
- 2011
- Tongue
- English
- Weight
- 790 KB
- Volume
- 7
- Category
- Article
- ISSN
- 1549-9618
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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‘
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. Th