Modifying the variational principle in the action-integral-functional derivation of time-dependent density-functional theory

J. Schirmer
Phys. Rev. A 82, 052510 – Published 11 November 2010

Abstract

According to a recent paper by G. Vignale [Phys. Rev. A 77, 062511 (2008)], the problems arising in the original derivation of time-dependent density-functional theory based on the Runge-Gross (RG) action-integral functional (AIF) are because of an incorrect variational principle (VP). This argument and the proposed modification of the VP are critically analyzed. The more fundamental problem, though, is the indefiniteness of the RG AIF. In contrast to a widely held belief the indefiniteness is not eliminated in the variational procedure, which unwittingly is corroborated by Vignale’s initial point.

  • Received 16 July 2010

DOI:https://doi.org/10.1103/PhysRevA.82.052510

©2010 American Physical Society

Authors & Affiliations

J. Schirmer

  • Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, D-69120 Heidelberg, Germany

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Vol. 82, Iss. 5 — November 2010

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