Polarization effects in the simulation of lead (II) fluoride
An interionic potential to describe the interactions in PbF2 is constructed from ab initia calculations. The potential is based upon formal ionic charges and includes polarization effects arising from the induced dipoles on both anions and cations. The cation polarization effects are shown to be cru...
| Autores principales: | , , |
|---|---|
| Formato: | Journal article |
| Lenguaje: | English |
| Publicado: |
1999
|