Optical excitations in MnO and MnO:ZnO via embedded CASPT2 theory and their implications for solar energy conversion

Journal of Physical Chemistry C

Volumn 117, Issue 27, 2013, Pages 13816-13826

  Kanan, Dalal K ^a   Carter, Emily A ^b  

^a PRINCETON UNIVERSITY   (United States)

^b Princeton University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION PROPERTY; COMPLETE ACTIVE SPACE; ELECTRON HOLE PAIRS; INTER-SYSTEM CROSSINGS; OPTICAL ABSORPTION PROPERTIES; PHOTON CONVERSION EFFICIENCIES; SECOND ORDER PERTURBATION; SOLAR APPLICATIONS;

ENERGY CONVERSION; LIGANDS; MANGANESE; THREE DIMENSIONAL; ZINC OXIDE;

MANGANESE OXIDE;

EID: 84880145506     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4024475     Document Type: Article

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