赝势
物理
锂(药物)
原子间势
分子动力学
离子
统计物理学
量子力学
医学
内分泌学
作者
Manel Canales,L. González,J. A. Padró
出处
期刊:Physical review
日期:1994-11-01
卷期号:50 (5): 3656-3669
被引量:93
标识
DOI:10.1103/physreve.50.3656
摘要
Both structural and dynamical properties of $^{7}\mathrm{Li}$ at 470 and 843 K are studied by molecular dynamics simulation and the results are comapred with the available experimental data. Two effective interatomic potentials are used, i.e., a potential derived from the Ashcroft pseudopotential [Phys. Lett. 23, 48 (1966)] and a recently proposed potential deduced from the neutral pseudoatom method [J. Phys.: Condens. Matter 5, 4283 (1993)]. Although the shape of the two potential functions is very different, the majority of the properties calculated from them are very similar. The differences among the results using the two interaction models are carefully discussed.
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