Spin-flip time dependent density functional theory applied to excited states with single, double, or mixed electron excitation character

Journal of Chemical Physics

Volumn 133, Issue 11, 2010, Pages

  Rinkevicius, Zilvinas ^a   Vahtras, Olav ^a   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; CLOSED SHELLS; DOUBLE EXCITATIONS; ELECTRON EXCITATIONS; EXCHANGE-CORRELATION FUNCTIONALS; EXCITATION PROCESS; LARGE SIZES; LOW-LYING EXCITED STATE; MOLECULAR SYSTEMS; RELATIVE POSITIONS; SPIN-FLIP; TEST CASE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

EXCITED STATES; OLIGOMERS;

DENSITY FUNCTIONAL THEORY;

1,3 BUTADIENE DERIVATIVE; POLYMER;

ARTICLE; CHEMISTRY; ELECTRON; QUANTUM THEORY; TIME;

BUTADIENES; ELECTRONS; POLYMERS; QUANTUM THEORY; TIME FACTORS;

EID: 77956969124     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3479401     Document Type: Article

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