Functional N-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories - Journal of Modern Physics

JMP > Vol.4 No.3, March 2013

Functional N-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories ()

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DOI: 10.4236/jmp.2013.43A055 5,700 Downloads 10,225 Views Citations

Author(s)

Eduardo V. Ludeña, F. Javier Torres, Cesar Costa

Affiliation(s)

Grupo Ecuatorianopara el Estudio Experimental y Teórico de Nanosistemas (ETNano), Universidad San Francisco de Quito (USFQ), Edificion Newton, Oficina N102C iego de Robles y VíaInteroceánica, Quito, Ecuador.

ABSTRACT

The N-representability conditions on the reduced second-order reduced density matrix (2-RDM), impose restrictions not only in the context of reduced density matrix theory (RDMT), but also on functionals advanced in one-matrix theory such as natural orbital functional theory (NOFT), and on functionals depending on the one-electron density such as those of density functional theory (DFT). We review some aspects of the applications of these N-representability conditions in these theories and present some conclusions.

KEYWORDS

N-Representability; DFT; D1-Matrix Theory; D2-Matrix Theory

Share and Cite:

E. Ludeña, F. Torres and C. Costa, "Functional N-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories," Journal of Modern Physics, Vol. 4 No. 3A, 2013, pp. 391-400. doi: 10.4236/jmp.2013.43A055.

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