A DECOMPOSITION THEOREM FOR WAVE FUNCTIONS IN MOLECULAR QUANTUM CHEMISTRY

1 June 1996

journal article
Published by World Scientific Pub Co Pte Ltd in Mathematical Models and Methods in Applied Sciences

Vol. 6 (4) , 437-466
https://doi.org/10.1142/s021820259600016x

Abstract

A general way to decompose an antisymmetric wave function into its density 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.

Keywords

DENSITY FUNCTIONAL THEORY
DECOMPOSITION THEOREM
WAVE FUNCTION
MOLECULAR QUANTUM
QUANTUM CHEMISTRY
ANTISYMMETRIC WAVE

This publication has 0 references indexed in Scilit: