Emergence of Critical Phenomena in Full Configuration Interaction Quantum Monte Carlo

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.