W. M. C. Foulkes
W. M. C. Foulkes
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Zitiert von
Zitiert von
Quantum Monte Carlo simulations of solids
WMC Foulkes, L Mitas, RJ Needs, G Rajagopal
Reviews of Modern Physics 73 (1), 33, 2001
Tight-binding models and density-functional theory
WMC Foulkes, R Haydock
Physical review B 39 (17), 12520, 1989
Electronic states in probed by soft-x-ray absorption
CT Chen, F Sette, Y Ma, MS Hybertsen, EB Stechel, WMC Foulkes, ...
Physical review letters 66 (1), 104, 1991
Ab initio solution of the many-electron Schrödinger equation with deep neural networks
D Pfau, JS Spencer, AGDG Matthews, WMC Foulkes
Physical review research 2 (3), 033429, 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
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
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
Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit
T Dornheim, S Groth, T Sjostrom, FD Malone, WMC Foulkes, M Bonitz
Physical Review Letters 117 (15), 156403, 2016
Ab initio Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter Conditions
S Groth, T Dornheim, T Sjostrom, FD Malone, WMC Foulkes, M Bonitz
Physical review letters 119 (13), 135001, 2017
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
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
Model for low-energy electronic states probed by x-ray absorption in high- cuprates
MS Hybertsen, EB Stechel, WMC Foulkes, M Schlüter
Physical Review B 45 (17), 10032, 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
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
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
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
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
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
Quantum monte carlo investigation of exchange and correlation in silicon
RQ Hood, MY Chou, AJ Williamson, G Rajagopal, RJ Needs, ...
Physical review letters 78 (17), 3350, 1997
Density-matrix quantum Monte Carlo method
NS Blunt, TW Rogers, JS Spencer, WMC Foulkes
Physical Review B 89 (24), 245124, 2014
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