Random Number Generators Tested on Quantum Monte Carlo Simulations

被引：14

作者：

Hongo, Kenta ^{[1
]}

Maezono, Ryo ^{[1
]}

Miura, Kenichi ^{[2
]}

机构：

[1] Japan Adv Inst Sci & Technol, Sch Informat Sci, Nomi, Ishikawa 9231292, Japan

[2] Natl Inst Informat, Ctr Grid Res & Dev, Chiyoda Ku, Tokyo 1018430, Japan

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 2010年 / 31卷 / 11期

基金：

日本科学技术振兴机构;

关键词：

electronic structure; Quantum Monte Carlo; random number generator; computational chemistry;

D O I：

10.1002/jcc.21509

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We have tested and compared several (pseudo) random number generators (RNGs) applied to a practical application, ground state energy calculations of molecules using variational and diffusion Monte Carlo metheds A new multiple recursive generator with 8th-order recursion (MRG8) and the Mersenne twister generator (MT19937) are tested and compared with the RANLUX generator with five luxury levels (RANLUX-[0-4]) Both MRG8 and MT19937 are proven to give the same total energy as that evaluated with RANLUX-4 (highest luxury level) within the statistical error bars with less computational cost to generate the sequence We also tested the notorious implementation of linear congruential generator (LCG), RANDU, for comparison (C) 2010 Wiley Periodicals, Inc J Comput Chem 31 2186-2194, 2010

引用

页码：2186 / 2194

页数：9

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