An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: Applications to localized occupied orbitals

Journal of Chemical Physics

Volumn 121, Issue 19, 2004, Pages 9220-9229

  Subotnik, Joseph E ^a,b   Shao, Yihan ^a,b   Liang, WanZhen ^c   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BOYS ORBITALS; MOLECULAR ORBITALS; ORTHOGONAL MATRICES; WAVE FUNCTIONS;

ALGORITHMS; FUNCTIONS; MATHEMATICAL MODELS; ORBITS; REACTION KINETICS; VECTORS;

MOLECULAR DYNAMICS;

EID: 10844259748     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1790971     Document Type: Article

References (30)

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