Hohenberg-Kohn theorem and non-V-representable densities

H. Englisch and R. Englisch

Physica A: Statistical Mechanics and its Applications, 1983, vol. 121, issue 1, 253-268

Abstract: In the density-functional formalism of Hohenberg and Kohn1), the variation is only allowed over the one-particle densities which are pure-state-V-representable (PS-V-representable). Levy2) and Lieb3) proved that not every ensemble-V-representable (E-V-representable) density is PS-V-representable. Since we show that the Hohenberg-Kohn formalism can be extended to a variation over E-V-representable densities for degenerated ground states, Levy's and Lieb's result is not a counterexample to the universality of the Hohenberg-Kohn theorem. The question whether every N-representable density is E-V-representable has remained open so far. Presenting examples of non-E-V-representable densities we answer this question in the negative. Thus the value of Levy's functional4) for the calculation of ground-state energies is obvious, since this functional only requires the N-representability of the densities. Therefore we transfer two approaches for the calculation of excited-state energies into the framework of Levy's formalism.

Date: 1983
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/0378437183902546
Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:121:y:1983:i:1:p:253-268

DOI: 10.1016/0378-4371(83)90254-6

Access Statistics for this article

Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

More articles in Physica A: Statistical Mechanics and its Applications from Elsevier
Bibliographic data for series maintained by Catherine Liu ().