Nonlinear instability of density-independent orbital-free kinetic energy functionals

Abstract

We study in this article the mathematical properties of a class of orbital-free kinetic energy functionals. We prove that these models are linearly stable but nonlinearly unstable, in the sense that the corresponding kinetic energy functionals are not bounded from below. As a matter of illustration, we provide an example of an electronic density of simple shape the kinetic energy of which is negative.

arXiv comment14 pages, 1 figure

References in corpus (1)

• Conjugate-Gradient Optimization Method for Orbital-free Density Functional Calculations

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