๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Symbolic Algebra in Quantum Chemistry

โœ Scribed by So Hirata

Publisher
Springer
Year
2006
Tongue
English
Weight
432 KB
Volume
116
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Lie algebras in quantum chemistry: Symme
Lie algebras in quantum chemistry: Symmetrized orbitals
โœ B. G. Wybourne ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 946 KB

## Abstract The application of Lie algebras in quantum chemistry is considered. Particular attention is devoted to their application to high symmetry problems especially where icosahedral symmetry prevails. A general programme for implementing the theory of Lie algebras in the analysis of symmetry

Symbolic algebra in functional derivativ
Symbolic algebra in functional derivative potential calculations
โœ Jemmer, Patrick; Knowles, Peter J. ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 204 KB ๐Ÿ‘ 1 views

This article gives the details of the methodology used in constructing a symbolic algebra program designed for evaluating potentials as the functional derivatives of so-called functional generators in molecular density-functional theory. The derived formulae are used in illustrative examples involvi

Quantum mechanics of pseudorotation in r
Quantum mechanics of pseudorotation in ring systems: An application of the MuMATH symbolic algebra system
โœ Carl Trindle ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 582 KB

A variety of quantum mechanical models have guided the interpretation of the far infrared (IR) spectrum of easily deformed ring systems, but an explicit guide to such modelling would ease further analysis. The coordinates introduced by Cremer and Pople provide a starting point for description of puc