An Efficient LDA+U Based Tight Binding Approach-Reference-Cited by-同舟云学术

An Efficient LDA+U Based Tight Binding Approach

Published:2007-04-07 Issue:26 Volume:111 Page:5665-5670
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sanna Simone¹,Hourahine B.¹,Gallauner Th.¹,Frauenheim Th.¹

Affiliation:

1. Theoretische Physik, Universität Paderborn, Warburger Strasse 100, D-33098 Paderborn, Germany, BCCMS, Universität Bremen, Otto-Hahn-Allee 1, 28359 Bremen, Germany, Department of Physics, University of Strathclyde, John Anderson Building, 107 Rottenrow, Glasgow G4 0NG, United Kingdom, and Institute for Material Chemistry, Vienna University of Technology, Getreidemarkt 9/165-TC, A-1060, Vienna, Austria

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0701237

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5. Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators

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