Analytic derivative couplings in time-dependent density functional theory: Quadratic response theory versus pseudo-wavefunction approach

Journal of Chemical Physics

Volumn 142, Issue 6, 2015, Pages

  Zhang, Xing ^a   Herbert, John M ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTATION THEORY; COUPLINGS; NUMERICAL METHODS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

COMPUTATIONAL COSTS; DIRECT DIFFERENTIATION; FULL CONFIGURATION INTERACTION; MOLECULAR SYSTEMS; NUMERICAL RESULTS; QUADRATIC RESPONSE; RESPONSE THEORY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84923803128     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4907376     Document Type: Article

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