Quantum Monte Carlo simulations of solids WMC Foulkes, L Mitas, RJ Needs, G Rajagopal
Reviews of Modern Physics 73 (1), 33, 2001
2920 2001 Tight-binding models and density-functional theory WMC Foulkes, R Haydock
Physical review B 39 (17), 12520, 1989
896 1989 Electronic states in CT Chen, F Sette, Y Ma, MS Hybertsen, EB Stechel, WMC Foulkes, ...
Physical review letters 66 (1), 104, 1991
627 1991 Ab initio solution of the many-electron Schrödinger equation with deep neural networksD Pfau, JS Spencer, AGDG Matthews, WMC Foulkes
Physical review research 2 (3), 033429, 2020
603 2020 Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions LM Fraser, WMC Foulkes, G Rajagopal, RJ Needs, SD Kenny, ...
Physical Review B 53 (4), 1814, 1996
287 1996 Supercell size scaling of density functional theory formation energies of charged defects NDM Hine, K Frensch, WMC Foulkes, MW Finnis
Physical Review B—Condensed Matter and Materials Physics 79 (2), 024112, 2009
260 2009 Finite-size errors in continuum quantum Monte Carlo calculations ND Drummond, RJ Needs, A Sorouri, WMC Foulkes
Physical Review B—Condensed Matter and Materials Physics 78 (12), 125106, 2008
257 2008 Ab initio Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter ConditionsS Groth, T Dornheim, T Sjostrom, FD Malone, WMC Foulkes, M Bonitz
Physical review letters 119 (13), 135001, 2017
188 2017 Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic LimitT Dornheim, S Groth, T Sjostrom, FD Malone, WMC Foulkes, M Bonitz
Physical Review Letters 117 (15), 156403, 2016
184 2016 On the growth of Al2O3 scales AH Heuer, T Nakagawa, MZ Azar, DB Hovis, JL Smialek, B Gleeson, ...
Acta Materialia 61 (18), 6670-6683, 2013
182 2013 Dissociation of high-pressure solid molecular hydrogen: a quantum Monte Carlo and anharmonic vibrational study S Azadi, B Monserrat, WMC Foulkes, RJ Needs
Physical review letters 112 (16), 165501, 2014
167 2014 Model for low-energy electronic states probed by x-ray absorption in high- MS Hybertsen, EB Stechel, WMC Foulkes, M Schlüter
Physical Review B 45 (17), 10032, 1992
165 1992 The treatment of electronic excitations in atomistic models of radiation damage in metals CP Race, DR Mason, MW Finnis, WMC Foulkes, AP Horsfield, AP Sutton
Reports on Progress in Physics 73 (11), 116501, 2010
152 2010 Finite-size errors in quantum many-body simulations of extended systems PRC Kent, RQ Hood, AJ Williamson, RJ Needs, WMC Foulkes, ...
Physical Review B 59 (3), 1917, 1999
142 1999 Elimination of Coulomb finite-size effects in quantum many-body simulations AJ Williamson, G Rajagopal, RJ Needs, LM Fraser, WMC Foulkes, ...
Physical Review B 55 (8), R4851, 1997
141 1997 The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method JS Spencer, NS Blunt, WMC Foulkes
The Journal of chemical physics 136 (5), 2012
135 2012 Variational and diffusion quantum Monte Carlo calculations at nonzero wave vectors: Theory and application to diamond-structure germanium G Rajagopal, RJ Needs, A James, SD Kenny, WMC Foulkes
Physical Review B 51 (16), 10591, 1995
128 1995 Quantum Monte Carlo calculations for solids using special k points methods G Rajagopal, RJ Needs, S Kenny, WMC Foulkes, A James
Physical review letters 73 (14), 1959, 1994
118 1994 Density-matrix quantum Monte Carlo method NS Blunt, TW Rogers, JS Spencer, WMC Foulkes
Physical Review B 89 (24), 245124, 2014
117 2014 Accurate exchange-correlation energies for the warm dense electron gas FD Malone, NS Blunt, EW Brown, DKK Lee, JS Spencer, WMC Foulkes, ...
Physical review letters 117 (11), 115701, 2016
112 2016 