Formulation of N- and v-representable density-functional theory. I. Ground states

Eugene S. Kryachko and Eduardo V. Ludea
Phys. Rev. A 43, 2179 – Published 1 March 1991
PDFExport Citation

Abstract

A rigorous version of N- and v-representable energy density-functional theory, formulated in the context of local-scaling transformations, is advanced. The importance of N-representability conditions for the formulation of a density-functional theory that complies with the variational principle is discussed, and particular emphasis is placed in distinguishing functional from one-particle density N and v representability. It is shown, by resorting to local-scaling transformations, how it is possible to actually construct an energy density functional that at all points of variation is strictly equivalent to the expectation value of the N-particle wave function from which the one-particle density is obtained, that is, an energy density functional with built-in N-representability conditions. Some relationships between the present theory and those based on the Hohenberg-Kohn theorems are discussed. In illustration, simple applications of the present theory to two-electron systems are given.

  • Received 2 February 1990

DOI:https://doi.org/10.1103/PhysRevA.43.2179

©1991 American Physical Society

Authors & Affiliations

Eugene S. Kryachko

  • Institute for Theoretical Physics, 252130 Kiev-130, U.S.S.R.

Eduardo V. Ludea

  • Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado 21827, Caracas 1020-A, Venezuela

References (Subscription Required)

Click to Expand
Issue

Vol. 43, Iss. 5 — March 1991

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review A

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×