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: | English |
| Published: |
American Chemical Society,
2012-03-26T21:06:54Z.
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| Subjects: | |
| Online Access: | Get fulltext |