Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory

Journal of Chemical Physics

Volumn 141, Issue 6, 2014, Pages

  Zhang, Xing ^a   Herbert, John M ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COSTS; DENSITY FUNCTIONAL THEORY; ETHYLENE; QUANTUM CHEMISTRY;

ADDITIONAL COSTS; CONFIGURATION INTERACTION SINGLES; CONICAL INTERSECTION; EXCHANGE-CORRELATION FUNCTIONALS; EXCHANGE-CORRELATIONS; QUADRATIC RESPONSE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; UPDATING ALGORITHM;

COUPLINGS;

EID: 84906259312     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4891984     Document Type: Article

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