Imperial College London

Matthew Foulkes

Faculty of Natural SciencesDepartment of Physics

Professor of Physics



+44 (0)20 7594 7607wmc.foulkes Website




Mrs Carolyn Dale +44 (0)20 7594 7579




810Blackett LaboratorySouth Kensington Campus






BibTex format

author = {Malone, FDARA},
doi = {10.1063/1.4927434},
journal = {Journal of Chemical Physics},
title = {Interaction picture density matrix quantum Monte Carlo},
url = {},
volume = {143},
year = {2015}

RIS format (EndNote, RefMan)

AB - The recently developed density matrix quantum Monte Carlo (DMQMC) algorithm stochastically samplesthe N-body thermal density matrix and hence provides access to exact properties of many-particle quantumsystems at arbitrary temperatures. We demonstrate that moving to the interaction picture provides substan-tial benefits when applying DMQMC to interacting fermions. In this first study, we focus on a system ofmuch recent interest: the uniform electron gas in the warm dense regime. The basis set incompleteness errorat finite temperature is investigated and extrapolated via a simple Monte Carlo sampling procedure. Finally,we provide benchmark calculations for a four-electron system, comparing our results to previous work wherepossible.
AU - Malone,FDARA
DO - 10.1063/1.4927434
PY - 2015///
SN - 1089-7690
TI - Interaction picture density matrix quantum Monte Carlo
T2 - Journal of Chemical Physics
UR -
UR -
VL - 143
ER -