Methods in Computational Molecular Physics [E-Book] / edited by Stephen Wilson, Geerd H. F. Diercksen.
This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computational Molecular Physics held in Bad Windsheim, Germany, from 22nd July until 2nd. August, 1991. This NATO Advanced Study Institute sought to bridge the quite considerable gap which exist between the prese...
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Full text |
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Personal Name(s): | Diercksen, Geerd H. F., editor |
Wilson, Stephen, editor | |
Imprint: |
Boston, MA :
Springer,
1992
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Physical Description: |
XIV, 551 p. 35 illus. online resource. |
Note: |
englisch |
ISBN: |
9781461574194 |
DOI: |
10.1007/978-1-4615-7419-4 |
Series Title: |
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NATO ASI Series, Series B: Physics ;
293 |
Subject (LOC): |
- Introductory remarks
- An overview of molecular quantum mechanics
- The Born-Oppenheimer approximation
- The electron correlation problem
- Unitary group approach to the many-electron correlation problem
- The configuration interaction approach to electron correlation
- Coupled cluster theory
- The perturbation theory of electron correlation: I. Basic Rayleigh-Schrödinger perturbation theory
- The perturbation theory of electron correlation: II. Many-body perturbation theory and the algebraic approximation
- The perturbation theory of electron correlation: III. Relativistic many-body perturbation theory
- The perturbation theory of electron correlation: IV. concurrent computation Many-body perturbation theory
- Response and propagator methods
- Valence bond theory
- Molecular properties
- Calculation of geometrical derivatives in molecular electronic structure theory
- Calculation of molecular rotation-vibration energies directly from the potential energy function
- Many-body perturbation theory for vibrational-electronic molecular hamiltonian
- Relativistic electronic structure theory
- Quantum mechanical scattering theory for chemical reactions
- Concluding remarks
- Faculty of the Advanced Study Institute
- Participants at the Advanced Study Institute.