Triplet Excitation Energy Transfer with Constrained Density Functional Theory
We study the electronic coupling matrix element for triplet excitation energy-transfer processes with a number of different computational methods. For the first time, constrained density functional theory (CDFT) is applied to the problem of energy transfer, and results are compared with direct coupl...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Chemical Society
2012
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| Online Access: | http://hdl.handle.net/1721.1/69871 https://orcid.org/0000-0001-7111-0176 |