Problem Solving in Computational Molecular Science [E-Book] : Molecules in Different Environments / edited by S. Wilson, G. H. F. Diercksen.
For all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which con...
Saved in:
Full text |
|
Personal Name(s): | Diercksen, G. H. F., editor |
Wilson, S., editor | |
Imprint: |
Dordrecht :
Springer,
1997
|
Physical Description: |
IX, 416 p. online resource. |
Note: |
englisch |
ISBN: |
9789400900394 |
DOI: |
10.1007/978-94-009-0039-4 |
Series Title: |
/* Depending on the record driver, $field may either be an array with
"name" and "number" keys or a flat string containing only the series
name. We should account for both cases to maximize compatibility. */?>
NATO ASI Series, Advanced Science Institutes Series ;
500 |
Subject (LOC): |
- Molecular properties in different environments
- Quantum-chemical models
- I. An overview
- II. Finite basis sets and the algebraic approximation
- III. Molecular integrals over gaussian-type functions
- IV. Relativistic many-body perturbation theory
- Models for simulating molecular properties in condensed systems
- On calculating the electronic spectroscopy of very large molecules
- Fine and hyperfine structure: Spin properties of molecules
- Molecular simulation - A primer
- Chemical reactions in bulk and on surfaces.