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Fragment transition density method to calculate electronic coupling for excitation energy transfer

✍ Scribed by Voityuk, Alexander A.

Book ID
126087302
Publisher
American Institute of Physics
Year
2014
Tongue
English
Weight
545 KB
Volume
140
Category
Article
ISSN
0021-9606

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## Abstract Time‐dependent density functional (TD‐DFT) and perturbation theory‐based outer valence Green functions (OVGF) methods have been tested for calculations of excitation energies for a set of radicals, molecules, and model clusters simulating points defects in silica. The results show that