Pair density functional theory by means of the correlated wave function
Strongly Correlated Electrons
2015-06-25 v1 Other Condensed Matter
Abstract
We present a density functional scheme for calculating the pair density (PD) by means of the correlated wave function. This scheme is free from both of problems related to PD functional theory, i.e., (a) the need to constrain the variational principle to -representable PDs and (b) the development of a kinetic energy functional. By using the correlated wave function, the searching region for the ground-state PD is substantially extended as compared with our previous theory[Physica B \textbf{372} (2007), in press]. The variational principle results in the simultaneous equations that yield the best PD beyond the previous theory, not to mention the Hartree-Fock approximation.
Keywords
Cite
@article{arxiv.cond-mat/0610725,
title = {Pair density functional theory by means of the correlated wave function},
author = {Masahiko Higuchi and Katsuhiko Higuchi},
journal= {arXiv preprint arXiv:cond-mat/0610725},
year = {2015}
}