On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.

Journal of Chemical Physics

Volumn 130, Issue 15, 2009, Pages

  Ziegler, Tom ^a   Seth, Michael ^a   Krykunov, Mykhaylo ^a   Autschbach, Jochen ^b   Wang, Fan ^c  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY AT BUFFALO   (United States)

^c SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EIGENVALUE EQUATIONS; ENERGY EXPRESSIONS; ENERGY SPECTRUM; HIGHER ORDER TERMS; KOHN-SHAM FORMULATIONS; MAGNETIC TRANSITIONS; PRACTICAL IMPLEMENTATIONS; RESPONSE THEORIES; RYDBERG EXCITATIONS; SECOND ORDERS; SLATER DETERMINANTS; TIME DEPENDENTS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORIES; TRANSITION ENERGIES; TRANSITION MOMENTS; VARIATIONAL APPROACHES; VARIATIONAL METHODS; VARIATIONAL PRINCIPLES;

CHARGE TRANSFER; ION EXCHANGE; PROBABILITY DENSITY FUNCTION; VARIATIONAL TECHNIQUES;

DENSITY FUNCTIONAL THEORY;

EID: 65349144790     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3114988     Document Type: Article

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