Separable pseudopotentials: Effective core potential and the embedding potential

International Journal of Quantum Chemistry

Volumn 100, Issue 4 SPEC. ISS., 2004, Pages 649-660

  Abarenkov, I V ^a   Antonova, I M ^b  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b STEKLOV MATHEMATICAL INSTITUTE   (Russian Federation)

Author keywords

Chemical bond; Covalent materials; Embedding; Separable pseudopotentials

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC POTENTIAL; ELECTRONS; EMBEDDED SYSTEMS; MATRIX ALGEBRA;

ATOMIC SYSTEMS; COVALENT MATERIALS; EMBEDDING; SEPARABLE PSEUDOPOTENTIALS;

ELECTRONIC STRUCTURE;

EID: 7544238358     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20167     Document Type: Conference Paper

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