2009Physical Review AOpen access

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

Paul W. Ayers, Patricio Fuentealba

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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.

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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.

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Available 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.

Key concepts: Legendre transformation, Legendre polynomials, Transformation (genetics), Legendre function, Physics, Applied mathematics, Legendre wavelet, Associated Legendre polynomials

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