Molecular Response Functions for the Polarizable Continuum Model : Physical basis and quantum mechanical formalism /
| Main Author: | |
|---|---|
| Corporate Author: | |
| Format: | eBook |
| Language: | English |
| Published: |
Cham :
Springer International Publishing : Imprint: Springer,
2013.
|
| Edition: | 1st ed. 2013. |
| Series: | SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,
|
| Subjects: |
Table of Contents:
- 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.