Density functional theory and multireference configuration interaction studies on low-lying excited states of Ti O2

Journal of Chemical Physics

Volumn 126, Issue 3, 2007, Pages

  Grein, Friedrich ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ELECTRIC EXCITATION; GROUND STATE; PROBABILITY DENSITY FUNCTION; SPECTRUM ANALYSIS;

ADIABATIC EXCITATION ENERGIES; MULTIREFERENCE CONFIGURATION; MULTIREFERENCE CONFIGURATION INTERACTION (MRCI);

TITANIUM DIOXIDE;

EID: 33846413894     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2429062     Document Type: Article

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