Molecular Response Functions for the Polarizable Continuum Model : Physical basis and quantum mechanical formalism /
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| Autor Corporativo: | |
| Formato: | eBook |
| Lenguaje: | English |
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Cham :
Springer International Publishing : Imprint: Springer,
2013.
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| Edición: | 1st ed. 2013. |
| Colección: | SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,
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Tabla de Contenidos:
- Introduction
- The PCM model for solvated molecules
- The definition of the basic model
- The basic energy functional
- The Quantum Mechanical problem
- The Coupled-cluster equations
- Analytical derivatives theory for molecular solute
- Solute molecular properties
- The coupled-cluster analytical derivatives
- Response theory for molecules in solution
- General response theory for the Polarizable Contiuum Model
- The coupled-cluster response theory.