Unique positive definite extension of Mulliken's charge populations of non-orthogonal atomic basis functions

Journal of Molecular Structure: THEOCHEM

Volumn 501-502, Issue , 2000, Pages 395-401

  Pipek, J ^a  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

Mulliken's charge population; Non orthogonal atomic basis functions; Self adjoint operator

Indexed keywords

ARTICLE; ATOM; ELECTRON; PROBABILITY; QUANTUM CHEMISTRY; QUANTUM THEORY; SURFACE CHARGE;

EID: 0034725058     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00450-9     Document Type: Article

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