English

Emergence of Critical Phenomena in Full Configuration Interaction Quantum Monte Carlo

Chemical Physics 2012-09-19 v1 Statistical Mechanics Computational Physics

Abstract

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.

Keywords

Cite

@article{arxiv.1209.4023,
  title  = {Emergence of Critical Phenomena in Full Configuration Interaction Quantum Monte Carlo},
  author = {James J. Shepherd and Lauretta R. Schwarz and Robert E. Thomas and George. H. Booth and Daan Frenkel and Ali Alavi},
  journal= {arXiv preprint arXiv:1209.4023},
  year   = {2012}
}

Comments

5 pages, 6 figs