Time-dependent density functional theory with the generalized restricted-unrestricted approach

Journal of Chemical Physics

Volumn 124, Issue 17, 2006, Pages

  Oprea, Corneliu I ^a   Telyatnyk, Lyudmyla ^a   Rinkevicius, Zilvinas ^a   Vahtras, Olav ^a   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; NUMERICAL ANALYSIS; POLARIZATION; QUANTUM THEORY; TRANSITION METAL COMPOUNDS;

ISOTROPIC HYPERFINE COUPLING; SINGLET EXCITATION OPERATORS; SPIN POLARIZATION;

PROBABILITY DENSITY FUNCTION;

EID: 34547554886     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2191501     Document Type: Article

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