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Time step, data correlation and sampling accuracy in the diffusion quantum Monte Carlo method

✍ Scribed by R. Bianchi; P. Cremaschi; G. Morosi; C. Puppi

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 340 KB
Volume: 148
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)87265-8

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✦ Synopsis

The influence of the time step size on co' elation among terms in the diffusion series and criteria for estimating sampling accuracy are discussed for diffusion quantu ," Monte Carlo calculations.

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A new method of eliminating the finite-time-step error inherent in diffusion quantum Monte Carlo is presented, utilizing an improved version of the existing differential techniques. An implementation is described and results of several small but representative calculations are discussed. The pertine