Scaling of the known exact explicit forms of the non-interacting kinetic-energy density functional

2014/04/11 by Lázaro Calderín, Calderín, Lázaro
Chemistry · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Chemical Thermodynamics and Molecular Structure #FOS: Physical sciences #Quantum Physics (quant-ph) #quant-ph

paper · pdf · doi:10.48550/arxiv.1404.2970

openalex publication_date 2014/04/11 · arxiv created 2014/10/15 · arxiv updated 2014/10/16 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

It has been previously proven that the Kohn-Sham kinetic energy functional scales homogeneusly under generalized coordinate scaling, in a way that is obeyed by the von Weizäcker functional, but seems to be in contradiction with the scaling of the Thomas-Fermi functional. A very puzzling situation, taking in to account that the von Weizäcker and Thomas-Fermi functionals are exact cases of the Kohn-Sham kinetic energy functional for two electron systems, and the non-interacting electron gas, respectively. The apparent contradiction is resolved in this paper.

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