Theorems on ground-state phase transitions in Kohn-Sham models given by the Coulomb density functional
Statistical Mechanics
2015-05-20 v1 Materials Science
Abstract
Some theorems on derivatives of the Coulomb density functional with respect to the coupling constant are given. Consider an electron density given by a ground state. A model Fermion system with the reduced coupling constant, , is defined to reproduce and the ground state energy. Fixing the charge density, possible phase transitions as level crossings detected in a value of the reduced density functional happen only at discrete points along the axis. If the density is -representable also for , accumulation of phase transition points is forbidden when . Relevance of the theorems for the multi-reference density functional theory is discussed.
Keywords
Cite
@article{arxiv.1012.2964,
title = {Theorems on ground-state phase transitions in Kohn-Sham models given by the Coulomb density functional},
author = {Koichi Kusakabe and Isao Maruyama},
journal= {arXiv preprint arXiv:1012.2964},
year = {2015}
}
Comments
19 pages