Effective interionic pair potentials for liquid sodium and potassium have been derived from recent S-ray diffraction data using the Born-Green and Percus-Yevick equations. The results, in good agreement with pseudopotential or molecular dynamics calculations, were obtained in the case of the Born-Gr
โฆ LIBER โฆ
Effective Interionic Pair Potentials in Liquid Te, Sb, and Bi
โ Scribed by Y. Waseda; K. Suzuki
- Publisher
- John Wiley and Sons
- Year
- 1972
- Tongue
- English
- Weight
- 170 KB
- Volume
- 51
- Category
- Article
- ISSN
- 0370-1972
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Molecular dynamics simulations of extended simple point charge (SPC/E) water have been performed to study the effects of the truncation of long-range interactions on some calculated bulk properties of the liquid. The mean potential calculated in liquid water is sensitive to the choice of the cutoff