aqora

DENSITY FUNCTIONAL THEORY

G. F. Bertsch, Kazuhiro Yabana

Series on advances in quantum many-body theoryAug 1, 20026 citations

Density versus spin-density functional in DFT+U and DFT+DMFT

Hyowon Park, Andrew J. Millis, Chris A. Marianetti

Bulletin of the American Physical SocietyMar 5, 20150 citations

DFT and DMFT: Implementations and Applications to the Study of Correlated Materials

E. R. Ylvisaker

Jan 1, 20082 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

Density Matrices and Density Functionals

Robert Erdahl, Vadene H. Smith

Springer eBooksJan 1, 1987422 citations

Density matrix functional theory in average and relative coordinates

Manby, FR, Knowles, PJ, Lloyd, AW

Jan 1, 20010 citations

MATHEMATICAL DENSITY AND DENSITY MATRIX FUNCTIONAL THEORY (DFT AND DMFT)

Related papers

MATHEMATICAL DENSITY AND DENSITY MATRIX FUNCTIONAL THEORY (DFT AND DMFT)

Related papers