Molecular dynamics of polarizable point dipole models for molten NaI. Comparison with first principles simulations
Molecular dynamics simulations of molten NaI at 3 Piece Twin Poster Bed 995 K have been carried out using polarizable ion models based on rigid ion pair potentials to which the anion induced dipole polarization is added.The polarization is added in such a way that point dipoles are induced on the anions by both local electric field and deformation