Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation

Journal of Chemical Physics

Volumn 141, Issue 2, 2014, Pages

  Ou, Qi ^a   Fatehi, Shervin ^a,c   Alguire, Ethan ^a   Shao, Yihan ^b   Subotnik, Joseph E ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b Q Chem Inc   (United States)

^c UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; EXCITED STATES;

CONICAL INTERSECTION; DIRECT DIFFERENTIATION; ELECTRONIC WAVE FUNCTIONS; KOHN SHAMS; REASONABILITY; RESPONSE THEORY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANSITION DENSITY;

COUPLINGS;

EID: 84904324982     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4887256     Document Type: Article

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