Nonadiabatic coupling vectors within linear response time-dependent density functional theory

Journal of Chemical Physics

Volumn 130, Issue 12, 2009, Pages

  Tavernelli, Ivano ^a   Tapavicza, Enrico ^a   Rothlisberger, Ursula ^a  

^a EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; EXCITED STATES; NUMERICAL METHODS;

ADIABATIC APPROXIMATIONS; CONICAL INTERSECTIONS; ELECTRONIC GROUNDS; EXCITED-STATE WAVEFUNCTIONS; FORMALDIMINE; LINEAR RESPONSE; NON-ADIABATIC COUPLINGS; NUMERICAL EFFICIENCIES; ORBITALS; PROTONATED; STRONG COUPLINGS; SURFACE HOPPING; WAVE-FUNCTION BASED METHODS;

DENSITY FUNCTIONAL THEORY;

EID: 63649097363     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3097192     Document Type: Article

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