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physics.chem-ph2007★ 31 cited
Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density
Julien Toulouse, Roland Assaraf, C. J. Umrigar
We construct improved quantum Monte Carlo estimators for the spherically- and system-averaged electron pair density (i.e. the probability density of finding two electrons separated…
physics.chem-ph2003
Zero-Variance Zero-Bias Principle for Observables in quantum Monte Carlo: Application to Forces
Roland Assaraf, Michel Caffarel
A simple and stable method for computing accurate expectation values of observable with Variational Monte Carlo (VMC) or Diffusion Monte Carlo (DMC) algorithms is presented. The ba…