Excitation energies of some d1 systems calculated using time-dependent density functional theory: An implementation of open-shell TDDFT theory for doublet-doublet excitations

Molecular Physics

Volumn 102, Issue 23-24, 2004, Pages 2585-2595

  Wang, Fan ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; CHARGE TRANSFER; EIGENVALUES AND EIGENFUNCTIONS; ERROR ANALYSIS; GROUND STATE; MATHEMATICAL MODELS; MOLECULAR PHYSICS; TRANSITION METALS;

EXCITATION ENERGIES; METAL COMPOUND; QUANTUM CHEMISTRY; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TD-DFT);

PROBABILITY DENSITY FUNCTION;

EID: 10944259890     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/0026897042000275080     Document Type: Article

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