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...
| Հիմնական հեղինակներ: | , , , |
|---|---|
| Ձևաչափ: | Journal article |
| Լեզու: | English |
| Հրապարակվել է: |
2002
|