## Abstract The diffusion QuantumβMonteβCarlo method is applied to a set of coupled oscillators as a first approach to a polyethylene chain. The obtained energy eigenvalues are in good agreement with normal mode analysis. For chains shorter than 50 atoms a distinction between center oscillators and
Random number generators tested on quantum Monte Carlo simulations
β Scribed by Kenta Hongo; Ryo Maezono; Kenichi Miura
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 254 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0192-8651
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β¦ Synopsis
Abstract
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 8thβorder recursion (MRG8) and the Mersenne twister generator (MT19937) are tested and compared with the RANLUX generator with five luxury levels (RANLUXβ[0β4]). Both MRG8 and MT19937 are proven to give the same total energy as that evaluated with RANLUXβ4 (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. Β© 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
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