Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application

Journal of Chemical Physics

Volumn 134, Issue 13, 2011, Pages

  Li, Zhendong ^a   Liu, Wenjian ^a   Zhang, Yong ^a   Suo, Bingbing ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EFFORT; OPEN-SHELL; OPEN-SHELL SYSTEMS; PILOT APPLICATIONS; RESTRICTED OPEN SHELL KOHN SHAMS; SINGLE EXCITATION; SPIN-FLIP; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

ELECTRIC EXCITATION; EXCITED STATES; NAPHTHALENE; SHELLS (STRUCTURES);

DENSITY FUNCTIONAL THEORY;

EID: 79954505682     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3573374     Document Type: Article

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