FORMALLY EXACT PATH INTEGRAL MONTE-CARLO CALCULATIONS USING APPROXIMATE PROJECTION OPERATORS

被引：6

作者：

HALL, RW

机构：

[1] Department of Chemistry, Louisiana State University, Baton Rouge

来源：

JOURNAL OF CHEMICAL PHYSICS | 1992年 / 97卷 / 09期

关键词：

D O I：

10.1063/1.463709

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：

A class of approximate projection operators is used to reduce the variance in path integral Monte Carlo calculations in a formally exact manner. Paths are classified according to the projection operators, allowing the identification of paths whose contribution to the variance is negligible. The approach is applied to two canonical systems: Two like-spin electrons in a three dimensional harmonic well and the two dimensional Hubbard model, representing localized and extended electronic states, respectively. Time savings of 15-900 over straightforward Monte Carlo calculations are observed.

引用

页码：6481 / 6484

页数：4

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