Comment on "Kinetic energy as a density functional"
article

2002
Lancaster, Pa
, 2002

Physics

Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015

66(2002)
:6
, 3 p.

1094-1622

1050-2947

066501

000180656800126

E-only publicatie

English (eng)

University of Antwerp

In a recent paper, Nesbet [Phys. Rev. A 65, 010502(R) (2001)] has proposed dropping "the widespread but unjustified assumption that the existence of a ground-state density functional for the kinetic energy, T-s[rho], of an N-electron system implies the existence of a density-functional derivative, deltaT(s)[rho]/deltarho(r), equivalent to a local potential function," because, according to his arguments, this derivative "has the mathematical character of a linear operator that acts on orbital wave functions." Our Comment demonstrates that the statement called by Nesbet an "unjustified assumption" happens, in fact, to be a rigorously proven theorem. Therefore, his previous conclusions stemming from his different view of this derivative, which undermined the foundations of density-functional theory, can be discounted.

https://repository.uantwerpen.be/docman/irua/2ac003/7981.pdf

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