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
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.