Gutzwiller density functional theory for correlated electron systems

TitleGutzwiller density functional theory for correlated electron systems
Publication TypeJournal Article
Year of Publication2008
AuthorsHo KM, Schmalian J, Wang CZ
Journal TitlePhysical Review B
Volume77
Pages073101
Date PublishedFeb
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberISI:000253764200001
Keywordsferromagnetism, gas, mean-field theory, metals, molecular-dynamics, PLUTONIUM, total-energy calculations, transition, wave basis-set
Abstract

We develop a density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wave function which exactly obeys the Gutzwiller approximation for all one-particle operators. The solution of the many-electron problem is mapped onto the self-consistent solution of a set of single-particle Schrodinger equations, analogously to standard DFT-local density approximation calculations.

DOI10.1103/PhysRevB.77.073101
Alternate JournalPhys. Rev. B