An orbital localization criterion based on the theory of "fuzzy" atoms

Journal of Computational Chemistry

Volumn 27, Issue 5, 2006, Pages 596-608

  Alcoba, Diego R ^a   Lain, Luis ^a   Torre, Alicia ^a   Bochicchio, Roberto C ^b  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b UNIVERSIDAD DE BUENOS AIRES   (Argentina)

Author keywords

"fuzzy" atoms; Orbital localization criterion

Indexed keywords

ALGORITHMS; ATOMS; MOLECULAR DYNAMICS;

"FUZZY" ATOMS; ATOMIC ORBITAL; ORBITAL LOCALIZATION CRITERION; PLANAR SYSTEMS;

ATOMIC PHYSICS;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; MATHEMATICAL COMPUTING; QUANTUM THEORY;

ALGORITHMS; COMPUTER SIMULATION; MATHEMATICAL COMPUTING; MODELS, CHEMICAL; QUANTUM THEORY;

EID: 33645325936     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20373     Document Type: Article

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