Levy-Lieb constrained-search formulation as a minimization of the correlation functional

Abstract

The constrained-search formulation of Levy and Lieb, which formally defines the exact Hohenberg-Kohn functional for any N-representable electron density, is here shown to be equivalent to the minimization of the correlation functional with respect to the N-1 conditional probability density, where N is number of electrons of the system. The consequences and implications of such a result are here analyzed and discussed via a practical example.

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References in corpus (4)

• Kinetic energy density functionals for non-periodic systems
• An analytic expression for the electronic correlation term of the kinetic functional
• N-representability and stationarity in time-dependent density functional theory
• On the upper bound of the electronic kinetic energy in terms of density functionals

Cited by in corpus (2)

• The design of Kinetic Functionals for Many-Body Electron Systems : Combining analytical theory with Monte Carlo sampling of electronic configurations
• Levy-Lieb Principle meets Quantum Monte Carlo