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New Perspectives on Hohenberg–Kohn–Sham Density Functional Theory

Viraht Sahni

Springer eBooksJan 1, 20090 citations

Hohenberg–Kohn, Kohn–Sham, and Runge-Gross Density Functional Theories

Viraht Sahni

Springer eBooksJan 1, 20161 citation

EXPLORING THE ADIABATIC CONNECTION BETWEEN WEAK- AND STRONG-INTERACTION LIMITS IN DENSITY FUNCTIONAL THEORY

John P. Perdew, Stefan Kurth, Michael Seidl

Recent Progress in Many-Body TheoriesSep 1, 20000 citations

VARIATIONAL APPROACH TO ELECTRONIC STRUCTURE CALCULATIONS ON SECOND-ORDER REDUCED DENSITY MATRICES AND THE N-REPRESENTABILITY PROBLEM

Maho Nakata, Mituhiro Fukuda, Katsuki Fujisawa

Lecture notes series, Institute For Mathematical SciencesJun 19, 20132 citations

ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY

Eduardo V. Ludeña, Francesc Illas, Alejandro Ramírez-Solís

We discuss two basic problems in the Hohenberg-Kohn-Sham version of density functional theory, HKS-DFT: the first, the N-representability of the functional F[ρ] and, the second, the universality of F[ρ]. In relation to the first, we show that F[ρ] must satisfy N-representability conditions that follow from those on the 2-matrix D2(r1, r2; r′, r′2). In the case of the second, we provide arguments based on the equivalence between ab initio DFT and HKS-DFT to show that the functional F[ρ] is not universal.We discuss two basic problems in the Hohenberg-Kohn-Sham version of density functional theory, HKS-DFT: the first, the N-representability of the functional F[ρ] and, the second, the universality of F[ρ]. In relation to the first, we show that F[ρ] must satisfy N-representability conditions that follow from those on the 2-matrix D2(r1, r2; r′, r′2). In the case of the second, we provide arguments based on the equivalence between ab initio DFT and HKS-DFT to show that the functional F[ρ] is not universal.

International Journal of Modern Physics BOct 20, 200812 citations

Functional N-Representability in Density Matrix and Density Functional Theory

Eduardo V. Ludeña, Valentin V. Karasiev, Pedro Nieto

Progress in theoretical chemistry and physicsJan 1, 20030 citations

ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY

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ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY

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