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Random number generators tested on quantum Monte Carlo simulations

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. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010