Coupled cluster calculations on TiO2 nanoclusters

Journal of Chemical Physics

Volumn 139, Issue 6, 2013, Pages

  Berardo, Enrico ^a   Hu, Han Shi ^b   Kowalski, Karol ^b   Zwijnenburg, Martijn A ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COSTS; COUPLED CLUSTERS; COUPLED-CLUSTER APPROACH; COUPLED-CLUSTER CALCULATIONS; SINGLET EXCITED STATE; TIO; TRIPLE EXCITATION;

CLUSTER ANALYSIS; DIMERS; EXCITATION ENERGY; EXCITED STATES; NUMERICAL METHODS;

TITANIUM DIOXIDE;

EID: 84903362760     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4817536     Document Type: Article

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