ACCELERATED METROPOLIS METHOD

被引：66

作者：

UMRIGAR, CJ ^{[1
]}

机构：

[1] CORNELL UNIV,ATOM & SOLID STATE PHYS LAB,ITHACA,NY 14853

来源：

PHYSICAL REVIEW LETTERS | 1993年 / 71卷 / 03期

关键词：

D O I：

10.1103/PhysRevLett.71.408

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

It is shown that the freedom in the choice of the proposal matrix in the generalized Metropolis method can be used to greatly enhance the efficiency of the method. For example, the difficulties associated with the existence of multiple length scales in electronic structure calculations can be avoided by making an intelligent choice. Results are presented for Ne, Ar, and Li2.

引用

页码：408 / 411

页数：4

共 12 条

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