First-order derivative couplings between excited states from adiabatic TDDFT response theory

Journal of Chemical Physics

Volumn 142, Issue 6, 2015, Pages

  Ou, Qi ^a   Bellchambers, Gregory D ^b   Furche, Filipp ^b   Subotnik, Joseph E ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COUPLINGS; EXCITATION ENERGY; EXCITED STATES;

ANALYTICAL STRUCTURE; CONICAL INTERSECTION; FIRST ORDER DERIVATIVES; KERNEL APPROXIMATION; QUADRATIC RESPONSE FUNCTIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DENSITY; WORKING EQUATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84923817192     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4906941     Document Type: Article

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