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Density-functional theory with additional basic...
Journal article

Density-functional theory with additional basic variables: Extended Legendre transform

Abstract

In a recent series of papers, Higuchi and Higuchi defined an extended constrained-search procedure by extending the Levy constrained search by adding additional constraints. As shown here, this procedure can be equivalently formulated in terms of Lieb’s Legendre transformation functional. The Legendre transform approach has advantages in cases where the additional constraints are restrictive enough to cause problems with N-representability.

Authors

Ayers PW; Fuentealba P

Journal

Physical Review A, Vol. 80, No. 3,

Publisher

American Physical Society (APS)

Publication Date

September 1, 2009

DOI

10.1103/physreva.80.032510

ISSN

2469-9926