Quadrupole polarization in simulations of ionic systems: Application to AgCl
A method which allows for the effects of dipole and quadrupole polarizations on the interparticle interactions in molecular dynamics simulations is described. Multipole induction by both Coulombic and short-range interactions is included. The validity of a description of the interactions in condense...
| Autores principales: | , , |
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| Formato: | Journal article |
| Publicado: |
1996
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