An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings
Quantum–mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covale...
| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Institute of Physics (AIP)
2013
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| Online Access: | http://hdl.handle.net/1721.1/82590 https://orcid.org/0000-0001-7111-0176 |