Comment on: Revisiting the variational nature of the quantum theory of atoms in molecules

descriptionPublicationkeyboard_double_arrow_right Article 01 Jul 2006 English Publisher:Elsevier BVJournal:Chemical Physics Letters, volume 426, pages 226-228 (issn: 0009-2614,

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Authors: Richard F.W. Bader;

doi: 10.1016/j.cplett.2006.05.072

Comment on: Revisiting the variational nature of the quantum theory of atoms in molecules

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Abstract

Abstract A Letter by Pendas, Blanco and Francisco [A.M. Pendas, M.A. Blanco, E. Francisco, Chem. Phys. Lett. 417 (2006) 16] recently appeared in this journal whose purported purpose was to present ‘A simplified derivation of the variational nature of the real space basins used in the quantum theory of atoms in molecules (QTAIM)…’ The purpose of this note is to point out that in their attempt to do so, the authors make a fundamental error.

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