Model calculations for alkali halide clusters
摘要：
Model calculations of the total energy of alkali halide clusters using a rigid‐ion potential and a polarizable‐ion potential are presented. The calculations were carried out for four different materials for clusters having the composition (MX)nand M(MX)+n,n=1–18. It turns out that for a cluster of a given size the configuration of lowest energy is usually model and material dependent. Certain configurations of especially low total energy are discussed in detail.
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DOI：
10.1063/1.449029
被引量：
年份：
1985
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