Nonadiabatic couplings from time-dependent density functional theory: Formulation in the Casida formalism and practical scheme within modified linear response

Journal of Chemical Physics

Volumn 127, Issue 6, 2007, Pages

  Hu, Chunping ^a   Hirai, Hirotoshi ^a   Sugino, Osamu ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

EXCITED STATES; FREQUENCY DOMAIN ANALYSIS; GROUND STATE; POLARIZATION;

CASIDA FORMALISM; LINEAR RESPONSE; NONADIABATIC COUPLINGS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 34547898456     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2755665     Document Type: Article

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