IMPROVED EFFECTIVE-POTENTIAL MONTE-CARLO THEORY

被引：20

作者：

ACOCELLA, D ^{[1
]}

HORTON, GK ^{[1
]}

COWLEY, ER ^{[1
]}

机构：

[1] RUTGERS STATE UNIV,CAMDEN COLL ARTS & SCI,DEPT PHYS,CAMDEN,NJ 08102

来源：

PHYSICAL REVIEW LETTERS | 1995年 / 74卷 / 24期

关键词：

D O I：

10.1103/PhysRevLett.74.4887

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The free energy of a quantum crystal with large zero-point motion, calculated using the effective-potential Monte Carlo (EPMC) method, is deficient at zero temperature because of the omission of cubic terms in the potential. We propose an improved effective-potential theory which includes a perturbative cubic correction. From the many possible forms of this correction, consistency requirements indicate a unique one. We show that, for a model of neon, this correction leads to superior results, and that the EPMC method's speed and ease of computation are preserved. © 1995 The American Physical Society.

引用

页码：4887 / 4890

页数：4

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