Ab initio molecular dynamics simulation of liquids and solutions

被引：27

作者：

Sprik, M

机构：

[1] IBM Research Division, Zurich Research Laboratory, CH-8803 Ruschlikon

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1996年 / 8卷 / 47期

关键词：

D O I：

10.1088/0953-8984/8/47/036

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The application of ab initio molecular dynamics simulation to bulk molecular systems is reviewed with emphasis on the density functional treatment of intermolecular interactions. Examples discussed are water, hydrogen fluoride, benzene, and sulphuric acid.

引用

收藏

页码：9405 / 9409

页数：5

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