Partitioning of the molecular density matrix over atoms and bonds

Journal of Chemical Physics

Volumn 132, Issue 16, 2010, Pages

  Vanfleteren, Diederik ^a   Van Neck, Dimitri ^a   Bultinck, Patrick ^a   Ayers, Paul W ^b   Waroquier, Michel ^a  

^a GHENT UNIVERSITY   (Belgium)

^b MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC DENSITY; CHEMICAL BINDING; DENSITY MATRIX; ELECTRON DENSITIES; FIRST-ORDER; FUZZY BOUNDARY; LOCALIZATION PROPERTIES; MOLECULAR DENSITY; TEST SETS;

CARRIER CONCENTRATION; ELECTRON DENSITY MEASUREMENT; ELECTRONS; MATRIX ALGEBRA; QUANTUM THEORY;

ATOMS;

EID: 77952324595     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3394018     Document Type: Article

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