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International Journal of Quantum Chemistry

Volumn 88, Issue 5, 2002, Pages 642-651

Wannier-type atomic functions and chemical bonding in crystals

(4) Chuev, Gennady N a,d Schrader, D M b Stepanov, Sergey V b Byakov, Vsevolod M c

a INSTITUTE OF MATHEMATICAL PROBLEMS OF BIOLOGY (Russian Federation)

b INSTITUTE OF THEORETICAL AND EXPERIMENTAL BIOPHYSICS (Russian Federation)

c MARQUETTE UNIVERSITY (United States)

d INSTITUTE FOR THEORETICAL AND EXPERIMENTAL PHYSICS (Russian Federation)

Author keywords

Bloch functions; Crystalline solids; Hartree Fock LCAO method; Wannier type atomic orbitals

Indexed keywords

ATOMS; BAND STRUCTURE; CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; NUMERICAL ANALYSIS;

CRYSTALLINE ORBITALS; HARTREE-FOCK METHOD; WANNIER TYPE ATOMIC FUNCTIONS;

CRYSTALLINE MATERIALS;

EID: 0037141957 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.10215 Document Type: Article

Times cited : (5)

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