Introducing constricted variational density functional theory in its relaxed self-consistent formulation (RSCF-CV-DFT) as an alternative to adiabatic time dependent density functional theory for studies of charge transfer transitions

Journal of Chemical Physics

Volumn 140, Issue 18, 2014, Pages

  Krykunov, Mykhaylo ^a   Seth, Mike ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER TRANSITIONS; CHARGE-TRANSFER EXCITATIONS; COMPARISON AND ANALYSIS; HARTREE-FOCK EXCHANGES; LONG-RANGE CORRECTIONS; MOLECULAR COMPLEXES; TETRACYANOETHYLENE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

BENZENE; CHARGE TRANSFER; EXPERIMENTS; MOLECULAR PHYSICS; NAPHTHALENE; OPTIMIZATION;

DENSITY FUNCTIONAL THEORY;

EID: 84893371273     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4849397     Document Type: Article

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