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Gonis, Antonios

Publications and source records attributed to Gonis, Antonios.

On the v-representabilty problem in density functional theory: Application to non-interacting systems

Based on a computational procedure for determining the functional derivative with respect to the density of any antisymmetric N-particle wave function for a non-interacting system that leads to the density, we devise a test as to whether or not a wave function known to lead to a given density corresponds to a solution of a Schrödinger equation for some potential. We examine explicitly the case of non-interacting systems described by Slater determinants. Here, numerical examples for the cases of a one-dimensional square-well potential with infinite walls and the harmonic oscillator potential illustrate the formalism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗