Localized Orbitals in a Multi-Reference Context

Journal of Computational Methods in Sciences and Engineering

Volumn 3, Issue 1, 2003, Pages 1-5

  Angeli, Celestino ^a   Calzado, Carmen J ^b   Cimiraglia, Renzo ^a   Evangelisti, Stefano ^c,d   Guihéry, Nathalie ^c   Malrieu, Jean Paul ^c   Maynau, Daniel ^c  

^a UNIVERSITY OF FERRARA   (Italy)

^b UNIVERSITY OF SEVILLE   (Spain)

^c CNRS   (France)

^d UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

Ab initio methods; CAS SCF; local orbitals

Indexed keywords

ALGORITHMS; CALCULATIONS; MOLECULAR ORBITALS;

AB INITIO METHOD; CAS-SCF; CONFIGURATION-INTERACTION CALCULATIONS; DIAGONALIZATIONS; ITERATIVE PROCESS; LOCAL ORBITALS; LOCALIZED ORBITALS; REDUCED-DENSITY MATRIX;

ITERATIVE METHODS;

EID: 79960249182     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/JCM-2003-3102     Document Type: Article

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