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Zero-Variance Principle for Monte Carlo Algorithms

Roland Assaraf, +1 more
- 06 Dec 1999 - 
- Vol. 83, Iss: 23, pp 4682-4685
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TLDR
In this paper, the authors present a general approach to greatly increase at little cost the efficiency of Monte Carlo algorithms by associating a renormalized observable (improved estimator) having the same average but a different variance.
Abstract
We present a general approach to greatly increase at little cost the efficiency of Monte Carlo algorithms. To each observable to be computed we associate a renormalized observable (improved estimator) having the same average but a different variance. By writing down the zero-variance condition a fundamental equation determining the optimal choice for the renormalized observable is derived (zero-variance principle for each observable separately). We show, with several examples including classical and quantum Monte Carlo calculations, that the method can be very powerful.

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Continuum variational and diffusion quantum Monte Carlo calculations.

TL;DR: In this paper, the authors describe the methodology of continuum variational and diffusion quantum Monte Carlo calculations, which are based on many-body wavefunctions and are capable of achieving very high accuracy.
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Control functionals for Monte Carlo integration

TL;DR: In this article, a non-parametric extension of control variates is presented, which leverages gradient information on the sampling density to achieve substantial variance reduction, and it is not required that sampling density be normalized.
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Partial differential equations and stochastic methods in molecular dynamics

TL;DR: This review describes how techniques from the analysis of partial differential equations can be used to devise good algorithms and to quantify their efficiency and accuracy.
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Applications of quantum Monte Carlo methods in condensed systems

TL;DR: In this paper, the fixed-node/fixed-phase diffusion Monte Carlo (FPMC) method is applied to the electronic structure of solids and other extended many-particle systems.
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