First-principles calculations of the electronic structure and spectra of strongly correlated systems: the<b>LDA</b>+<i>U</i>method

И. Анисимов, В.; Aryasetiawan, F.; I. Lichtenstein, A.

doi:10.1088/0953-8984/9/4/002

Public

First-principles calculations of the electronic structure and spectra of strongly correlated systems: theLDA+Umethod

Published in Journal of Physics Condensed Matter • Jan 27, 1997

Authors:

В. И. Анисимов

F. Aryasetiawan

A. I. Lichtenstein

Abstract

A generalization of the local density approximation (LDA) method for systems with strong Coulomb correlations is described which gives a correct description of the Mott insulators. The LDA+U method takes into account orbital dependence of the Coulomb and exchange interactions which is absent in the ...

Subject

Coulomb

Excited state

Local-density approximation

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