An efficient method for constructing nonorthogonal localized molecular orbitals

Journal of Chemical Physics

Volumn 120, Issue 20, 2004, Pages 9458-9466

  Feng, Huasheng ^a   Bian, Jiang ^a   Li, Lemin ^a   Yang, Weitao ^b  

^a National Laboratory for Molecular Sciences   (China)

^b DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL MOLECULAR ORBITALS (CMO); CHARGE DENSITY; NONORTHOGONAL LOCALIZED MOLECULAR ORBITALS (NOLMO); ORTHOGONAL LOCALIZED MOLECULAR ORBITALS (OLMO);

BENZENE; CHEMICAL BONDS; COMPUTATIONAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC SCALES; ELECTRONS; FUNCTIONS; MOLECULAR ORIENTATION; MOLECULAR PHYSICS;

QUANTUM THEORY;

EID: 2942527333     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1691396     Document Type: Article

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