Visible light absorption of N-doped TiO2 rutile using (LR/RT)-TDDFT and active space EOMCCSD calculations

Journal of Physical Chemistry Letters

Volumn 2, Issue 21, 2011, Pages 2696-2701

  Govind, N ^a   Lopata, K ^a   Rousseau, R ^b   Andersen, A ^a   Kowalski, K ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; COUPLED CLUSTERS; DOPED SYSTEMS; DOUBLE EXCITATIONS; INTERBAND; LINEAR RESPONSE; N-DOPED; N-DOPED TIO; TIO; UV/VIS SPECTRA; VISIBLE LIGHT ABSORPTION;

ABSORPTION SPECTROSCOPY; EXCITED STATES; OXIDE MINERALS; REAL TIME SYSTEMS;

TITANIUM DIOXIDE;

EID: 80455158222     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz201118r     Document Type: Article

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