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

Xavier Blanc | Zendy; Éric Cancès | Zendy

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

Author(s) -

Xavier Blanc,

Éric Cancès

Publication year - 2005

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1924595

Subject(s) - kinetic energy , instability , nonlinear system , bounded function , simple (philosophy) , energy (signal processing) , physics , statistical physics , orbital free density functional theory , class (philosophy) , classical mechanics , mathematics , mathematical analysis , quantum mechanics , density functional theory , local density approximation , computer science , philosophy , epistemology , artificial intelligence

We study in this article the mathematical properties of a class oforbital-free kinetic energy functionals. We prove that these models arelinearly stable but nonlinearly unstable, in the sense that the correspondingkinetic energy functionals are not bounded from below. As a matter ofillustration, we provide an example of an electronic density of simple shapethe kinetic energy of which is negative.Comment: 14 pages, 1 figur

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