Determination of a wave function functional.
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.
Pan
Xiao-Yin
XY
The Graduate School of the City University of New York, New York, New York 10016, USA.
Sahni
Viraht
V
Massa
Lou
L
D011789:Quantum Theory; D013816:Thermodynamics