Wannier functions and chemical bonding in crystals with the perovskite-like structure: SrTiO3, BaTiO3, PbTiO 3, and LaMnO3

International Journal of Quantum Chemistry

Volumn 100, Issue 4 SPEC. ISS., 2004, Pages 352-359

  Usvyat, D E ^a   Evarestov, R A ^a   Smirnov, V P ^b  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b ITMO UNIVERSITY   (Russian Federation)

Author keywords

Chemical bonding; Electronic structure; Perovskites; Population analysis; Wannier functions

Indexed keywords

BARIUM COMPOUNDS; BONDING; ELECTRONIC STRUCTURE; FUNCTIONS; LANTHANUM COMPOUNDS; MATHEMATICAL MODELS; PEROVSKITE; STRONTIUM COMPOUNDS;

POPULATION ANALYSIS; WANNIER FUNCTIONS; WANNIER-TYPE ATOMIC ORBITALS;

CRYSTALS;

EID: 7544237274     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10817     Document Type: Conference Paper

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