AN ACCURATE METHOD OF DERIVING EFFECTIVE PAIR POTENTIAL FROM STRUCTURAL DATA OF LIQUID ALKALI-METALS

被引：9

作者：

MUNEJIRI, S

SHIMOJO, F

HOSHINO, K

WATABE, M

机构：

[1] Faculty of Integrated Arts and Sciences, Hiroshima University

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1995年 / 64卷 / 02期

关键词：

THEORY; SIMULATION; LIQUID METAL; STRUCTURE; INVERSE PROBLEM;

D O I：

10.1143/JPSJ.64.344

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have derived the effective pair potential of liquid sodium at 373 K from the experimental structural data using the inverse method proposed by Reatto er al. (Phys. Rev. A 33 (1986) 3451) and shown that, to improve the accuracy and the efficiency of the method, it is necessary to obtain an accurate pair distribution function by performing the simulation for a large system with the pair potential truncated at a large cutoff distance and by extrapolating it carefully.

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页码：344 / 347

页数：4

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