title: Determination of a wave function functional.
abstract: We propose expanding the space of variations in traditional variational calculations for the energy by considering the wave function psi to be a functional of a set of functions chi:psi=psi[chi], rather than a function. A constrained search in a subspace over all functions chi such that the functional psi[chi] satisfies a sum rule or leads to a physical observable is then performed. An upper bound to the energy is subsequently obtained by variational minimization. The rigorous construction of such a constrained-search-variational wave function functional is demonstrated.
authors.affiliation: The Graduate School of the City University of New York, New York, New York 10016, USA.
authors.forename: Xiao-Yin
authors.initials: XY
authors.lastname: Pan
authors.forename: Viraht
authors.initials: V
authors.lastname: Sahni
authors.forename: Lou
authors.initials: L
authors.lastname: Massa
mesh_terms: D011789:Quantum Theory; D013816:Thermodynamics