Short-range contributions to the polarization of cations
Charge-overlap cluster calculations [Wheatley, R. J. Chem. Phys. Lett. 1998, 294, 487], in which the electronic structure of a central ion is modified self-consistently by the frozen densities of its neighbors, are used to model induced dipoles in the condensed-phase alkali metal halides. Two distin...
| Autors principals: | , , , , , |
|---|---|
| Format: | Journal article |
| Idioma: | English |
| Publicat: |
2001
|