Pseudopotentials for the calculation of dynamic properties of liquids

被引：34

作者：

González, LE ^{[1
]}

González, DJ ^{[1
]}

López, JM ^{[1
]}

机构：

[1] Univ Valladolid, Dept Fis Teor, E-47011 Valladolid, Spain

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2001年 / 13卷 / 34期

关键词：

D O I：

10.1088/0953-8984/13/34/321

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The calculation of dynamic properties of physical systems requires the knowledge of their total energy as a function of their configuration. In this paper we review some techniques for making this evaluation feasible in liquid systems, in particular liquid metals, through the use of pseudopotentials, and we also discuss how to construct the pseudopotentials in order to optimize their use within approximate theories for the total energy. Some results are given for pure metals and alloys.

引用

页码：7801 / 7825

页数：25

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