A DECOMPOSITION THEOREM FOR WAVE FUNCTIONS IN MOLECULAR QUANTUM CHEMISTRY
Olivier Bokanowski, Benoît Grébert
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.
Mathematical Models and Methods in Applied Sciences•Jun 1, 1996•18 citations