A transferable representation of the induced multipoles in ionic crystals
Electronic structure calculations of the induced dipole and quadrupole moments on a fluoride ion at low symmetry sites in a model crystalline environments are described. The results are used to characterize the short range contributions to the induced multipoles on the F- ion that arise from overlap...
| Main Authors: | , , , |
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| 格式: | Journal article |
| 語言: | English |
| 出版: |
2002
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