Hartree-Fock quantum Monte Carlo method

被引：0
|
作者：
HUANG Hongxin
2. Department of Chemistry
3. Department of Chemistry
机构：
来源：
Science Bulletin | 1997年 / 13期
关键词：
Hartree-Fock quantum Monte Carlo method; local energy; statistical error;
D O I：
暂无
中图分类号：
O641 [结构化学];
学科分类号：
070304 ; 081704 ;
摘要：
QUANTUM Monte Carlo (QMC) approach has already been successfully utilized in quantumchemistry. However, QMC algorithm brings statistical errors that are sharply increasedas the investigated system is enlarged. We proposed in terms of correlated sampling a novel al-gorithm with a better precision and a smaller error. However, the modified QMC methodproposed has still two problems: (i) the "random term" in the process of calculation is un-
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页码：1090 / 1093
页数：4
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