Theoretical description of charge migration with a single Slater-determinant and beyond

Journal of Chemical Physics

Volumn 130, Issue 3, 2009, Pages

  Kuleff, Alexander I ^a   Dreuw, Andreas ^b  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR ORBITALS; PROGRAMMING THEORY;

CHARGE MIGRATION; CORRELATION FUNCTIONALS; DENSITY-FUNCTIONAL (DF); HOLE DENSITIES; KOHN-SHAM (KS) DENSITY; NUMERICAL EXAMPLES; ORBITALS; TIME EVOLUTIONS;

DENSITY FUNCTIONAL THEORY;

CATION; ION;

ALGORITHM; ARTICLE; COMPUTER PROGRAM; ELECTRON; METHODOLOGY; OSCILLOMETRY; PHYSICAL CHEMISTRY; STATISTICAL MODEL; THEORETICAL MODEL;

ALGORITHMS; CATIONS; CHEMISTRY, PHYSICAL; ELECTRONS; IONS; MODELS, STATISTICAL; MODELS, THEORETICAL; OSCILLOMETRY; SOFTWARE;

EID: 58749105137     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3058899     Document Type: Article

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