Using molecular similarity to construct accurate semiempirical electronic structure theories

Journal of Chemical Physics

Volumn 121, Issue 12, 2004, Pages 5635-5645

  Janesko, Benjamin G ^a   Yaron, David ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORE-ELECTRON HAMILTONIANS; ELECTRON CORRELATION EFFECTS; POLARIZABILITY; SUBSYSTEMS;

APPROXIMATION THEORY; CARRIER CONCENTRATION; COMPUTATIONAL GEOMETRY; CORRELATION METHODS; HAMILTONIANS; KINETIC ENERGY; MATHEMATICAL MODELS; MATRIX ALGEBRA; POLYPEPTIDES; PROBABILITY DENSITY FUNCTION;

ELECTRONIC STRUCTURE;

EID: 5444242533     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1785771     Document Type: Article

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