A DECOMPOSITION THEOREM FOR WAVE-FUNCTIONS IN MOLECULAR QUANTUM-CHEMISTRY

Authors
BOKANOWSKI O GREBERT B
Citation
O. Bokanowski et B. Grebert, A DECOMPOSITION THEOREM FOR WAVE-FUNCTIONS IN MOLECULAR QUANTUM-CHEMISTRY, Mathematical models and methods in applied sciences, 6(4), 1996, pp. 437-466
Citations number
38
Categorie Soggetti
Mathematical Method, Physical Science",Mathematics
Journal title
Mathematical models and methods in applied sciences → ACNP
ISSN journal
02182025
Volume
6
Issue
4
Year of publication
1996
Pages
437 - 466
Database
ISI
SICI code
0218-2025(1996)6:4<437:ADTFWI>2.0.ZU;2-A
Abstract
A general way to decompose an antisymmetric wave function into its den sity function and a wave function of a given density is proposed. Its usefulness for molecular quantum chemistry is discussed, in particular In the context of density functional theory.