蒙特卡罗模拟了不同温度下液态Cs的结构

S. Lai
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引用次数: 4

摘要

利用蒙特卡罗模拟技术确定了金属铯的液态结构因子对温度的依赖关系。计算采用Li et al.(1986)最近发展的广义非局域模型赝势理论来构造离子间对势。作者发现,后一种对势是相当精确的,只要选择适当的渐近对相关函数,就能够在不同温度下再现高度可靠的液体结构因子。
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Monte Carlo simulation of the structure of liquid Cs at different temperatures
The temperature dependences of the liquid structure factors of caesium metal have been determined using a Monte Carlo simulation technique. The calculation adopts the generalised non-local model pseudopotential theory developed recently by Li et al. (1986) to construct the interionic pair potential. The author finds that the latter pair potentials are rather accurate and, with proper choice of the asymptotic pair correlation function, are capable of reproducing highly reliable liquid structure factors at various temperatures.
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