Wednesday, September 19, 2012

1209.4023 (James J. Shepherd et al.)

Emergence of Critical Phenomena in Full Configuration Interaction
Quantum Monte Carlo
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James J. Shepherd, Lauretta R. Schwarz, Robert E. Thomas, George. H. Booth, Daan Frenkel, Ali Alavi
There has been recent literature discussion on the origin and severity of the `sign problem' in full configuration interaction quantum Monte Carlo (FCIQMC) and its `initiator' adaptation (i-FCIQMC), methods of interest and potential because they allow for exact (FCI) ground-state solutions to be obtained often at a much reduced computational cost. In this study we aim to use a simple order parameter, describing the `sign structure' of the stochastic wavefunction representation, to empirically characterise the fundamentally different collective behaviour of the walker population in both methods.
View original: http://arxiv.org/abs/1209.4023

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