Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlated materials

European Physical Journal B

Volumn 65, Issue 1, 2008, Pages 91-98

  Korotin, Dm ^a   Kozhevnikov, A V ^a   Skornyakov, S L ^b   Leonov, I ^c   Binggeli, N ^c,d   Anisimov, V I ^a   Trimarchi, G ^c,d,e  

^a INSTITUTE OF METAL PHYSICS   (Russian Federation)

^b URAL FEDERAL UNIVERSITY   (Russian Federation)

^c ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

^d DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^e NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO APPROACH; AB-INITIO; BASIS SETS; CALCULATION SCHEME; CHALLENGING PROBLEM; CHARGE-TRANSFER INSULATORS; CORRELATED MATERIALS; CORRELATION EFFECTS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DYNAMICAL MEAN-FIELD THEORY; HAMILTONIAN; HAMILTONIAN PARAMETERS; INTERACTION PARAMETERS; NARROW BANDS; PHOTOEMISSION SPECTRUM; PLANE WAVES; PSEUDO POTENTIALS; PSEUDO-POTENTIAL PLANE WAVE METHODS; QUANTUM MONTE CARLO METHODS; WANNIER; WANNIER FUNCTIONS;

CHARGE TRANSFER; CRYSTAL IMPURITIES; EMISSION SPECTROSCOPY; HAMILTONIANS; ION EXCHANGE; MEAN FIELD THEORY; NICKEL; NICKEL OXIDE; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY;

EID: 52949116435     PISSN: 14346028     EISSN: 14346036     Source Type: Journal    
DOI: 10.1140/epjb/e2008-00326-3     Document Type: Article

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