Migration of holes: numerical algorithms and implementation
A hole created in a system, for instance by ionization, can migrate through the system solely driven by many-electron effects. The implementation of the theory of charge migration and the numerical algorithms used are described in detail. A description of the ab initio calculation of charge migratio...
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| Published in: | The Journal of chemical physics Vol. 126; no. 3; p. 034101 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
21.01.2007
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| ISSN: | 0021-9606 |
| Online Access: | Get more information |
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