Cluster Variation Method

被引：0
|
作者：
Tetsuo Mohri
机构：
[1] Institute for Materials Research,Center for Computational Materials Science
[2] Tohoku University,undefined
来源：
JOM | 2013年 / 65卷
关键词：
Pair Distribution Function; Pair Probability; Cluster Probability; Entropy Formula; Pair Approximation;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The cluster variation method (CVM) has been widely employed to calculate alloy free energies. The atomistic feature of the CVM is coherent with first-principles electronic structure calculations. In the current manuscript, a detailed derivation of a simple pair approximation is demonstrated, which facilitates the introduction of the concept of atomic correlations. The recent progress of the continuous displacement CVM is briefly introduced.
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页码：1510 / 1522
页数：12
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