Quantum Monte Carlo studies of transition metal oxides

Reviews in Mineralogy and Geochemistry

Volumn 71, Issue , 2010, Pages 137-145

  Mitas, Lubos ^a   Kolorenč, Jindřich ^b,c  

^a NORTH CAROLINA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF HAMBURG   (Germany)

^c INSTITUTE OF PHYSICS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION EFFECT; DENSITY FUNCTIONALS; ELECTRON-ELECTRON CORRELATION; EQUATION OF STATE; EXACT EXCHANGE; ORBITALS; QUANTUM MONTE CARLO METHODS; QUANTUM MONTE CARLO STUDIES; TRANSITION PRESSURE; TRANSITION-METAL OXIDES; UNRESTRICTED HARTREE-FOCK;

ELECTRON CORRELATIONS; ELECTRONIC STRUCTURE; EQUATIONS OF STATE; IRON OXIDES; MANGANESE; MANGANESE OXIDE; MONTE CARLO METHODS; TRANSITION METAL COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 77957673228     PISSN: 15296466     EISSN: None     Source Type: Book Series    
DOI: 10.2138/rmg.2010.71.7     Document Type: Article

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