Multireference spin-adapted variant of density functional theory

Journal of Chemical Physics

Volumn 120, Issue 11, 2004, Pages 5005-5016

  Khait, Yuriy G ^a,b   Hoffmann, Mark R ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

^b Prikladnaya Khimiya Russian Scientific Center   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

KOHN-SHAM ORBITALS; SPIN-INVARIANT DENSITY MATRICES;

ALGORITHMS; ELECTRON ENERGY LEVELS; GROUND STATE; HAMILTONIANS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; MATRIX ALGEBRA; OPTIMIZATION; POLARIZATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

MOLECULAR DYNAMICS;

EID: 1842631714     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1646352     Document Type: Article

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