Structure of water; A Monte Carlo calculation

被引：471

作者：

Barker, J. A. ^{[1
]}

Watts, R. O. ^{[1
]}

机构：

[1] Univ Waterloo, Dept Appl Math & Phys, Waterloo, ON N2L 3G1, Canada

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 3卷 / 03期

关键词：

D O I：

10.1016/0009-2614(69)80119-3

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An a priori calculation of the energy, specific heat and radial distribution function of liquid water at 25 degrees C is made using the Monte Carlo technique and an intermolecular pair potential determined by Rowlinson from the properties of ice and steam. Agreement with experiment is sufficiently good to demonstrate the feasibility of this approach to water.

引用

页码：144 / 145

页数：2

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