Simulation of molten NaI including polarization effects
- 7 January 1975
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 8 (1), L8-L11
- https://doi.org/10.1088/0022-3719/8/1/002
Abstract
A comparison is made of the radial distribution functions for NaI calculated by molecular dynamics simulation from consistent rigid ion and shell model interionic potentials. Substantial differences are observed.Keywords
This publication has 10 references indexed in Scilit:
- Properties of diatomic molecules from dynamical models for alkali halide crystalsSolid State Communications, 1974
- Interionic potentials and force constant models for rocksalt structure crystals—IIJournal of Physics and Chemistry of Solids, 1974
- Interionic potentials and force constant models for rocksalt structure crystalsJournal of Physics and Chemistry of Solids, 1973
- The partial structure factors of molten cuprous chloride from neutron diffraction measurementsJournal of Physics C: Solid State Physics, 1971
- Thermodynamic and structural properties of liquid ionic salts obtained by Monte Carlo computation. Part 1.—Potassium chlorideTransactions of the Faraday Society, 1971
- Dielectric dispersion and the structures of ionic latticesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1969
- The phonon dispersion relation for magnesium oxideProceedings of the Physical Society, 1967
- Ionic sizes and born repulsive parameters in the NaCl-type alkali halides—IIJournal of Physics and Chemistry of Solids, 1964
- Interatomic Distances in Crystals of the Alkali HalidesThe Journal of Chemical Physics, 1933
- Dispersion and Polarizability and the van der Waals Potential in the Alkali HalidesThe Journal of Chemical Physics, 1933