Imperial College London

Matthew Foulkes

Faculty of Natural SciencesDepartment of Physics

Professor of Physics
 
 
 
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Contact

 

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

 
 
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Assistant

 

Mrs Carolyn Dale +44 (0)20 7594 7579

 
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Location

 

810Blackett LaboratorySouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

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

RIS format (EndNote, RefMan)

TY  - JOUR
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 - http://dx.doi.org/10.1063/1.4927434
UR - http://hdl.handle.net/10044/1/25353
VL - 143
ER -