George Booth
George Booth
Royal Society Research Fellow, King's College London
Verifierad e-postadress på kcl.ac.uk - Startsida
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Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
GH Booth, AJW Thom, A Alavi
The Journal of chemical physics 131 (5), 054106, 2009
5772009
PySCF: the Python‐based simulations of chemistry framework
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1340, 2018
4972018
Towards an exact description of electronic wavefunctions in real solids
GH Booth, A Grüneis, G Kresse, A Alavi
Nature 493 (7432), 365-370, 2013
4682013
Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo
D Cleland, GH Booth, A Alavi
The Journal of chemical physics 132 (4), 041103, 2010
3052010
Breaking the carbon dimer: The challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods
GH Booth, D Cleland, AJW Thom, A Alavi
The Journal of chemical physics 135 (8), 084104, 2011
1392011
Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials
GH Booth, A Alavi
The Journal of chemical physics 132 (17), 174104, 2010
1262010
Evidence of chronic allograft injury in liver biopsies from long-term pediatric recipients of liver transplants
S Feng, JC Bucuvalas, AJ Demetris, BE Burrell, KM Spain, S Kanaparthi, ...
Gastroenterology 155 (6), 1838-1851. e7, 2018
119*2018
Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems
JJ Shepherd, A Grüneis, GH Booth, G Kresse, A Alavi
Physical Review B 86 (3), 035111, 2012
1192012
Full configuration interaction perspective on the homogeneous electron gas
JJ Shepherd, G Booth, A Grüneis, A Alavi
Physical Review B 85 (8), 081103, 2012
1172012
The over‐pruning hypothesis of autism
MSC Thomas, R Davis, A Karmiloff‐Smith, VCP Knowland, T Charman
Developmental Science 19 (2), 284-305, 2016
115*2016
Natural orbitals for wave function based correlated calculations using a plane wave basis set
A Grüneis, GH Booth, M Marsman, J Spencer, A Alavi, G Kresse
Journal of chemical theory and computation 7 (9), 2780-2785, 2011
1092011
Investigation of the full configuration interaction quantum Monte Carlo method using homogeneous electron gas models
JJ Shepherd, GH Booth, A Alavi
The Journal of chemical physics 136 (24), 244101, 2012
1062012
Linear-scaling and parallelisable algorithms for stochastic quantum chemistry
GH Booth, SD Smart, A Alavi
Molecular Physics 112 (14), 1855-1869, 2014
1022014
Stochastic multiconfigurational self-consistent field theory
RE Thomas, Q Sun, A Alavi, GH Booth
Journal of chemical theory and computation 11 (11), 5316-5325, 2015
912015
A study of electron affinities using the initiator approach to full configuration interaction quantum Monte Carlo
DM Cleland, GH Booth, A Alavi
The Journal of chemical physics 134 (2), 024112, 2011
912011
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application
NS Blunt, SD Smart, JAF Kersten, JS Spencer, GH Booth, A Alavi
The Journal of chemical physics 142 (18), 184107, 2015
852015
Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo
C Overy, GH Booth, NS Blunt, JJ Shepherd, D Cleland, A Alavi
The Journal of chemical physics 141 (24), 244117, 2014
852014
Taming the first-row diatomics: A full configuration interaction quantum Monte Carlo study
D Cleland, GH Booth, C Overy, A Alavi
Journal of chemical theory and computation 8 (11), 4138-4152, 2012
852012
Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer
S Sharma, T Yanai, GH Booth, CJ Umrigar, GKL Chan
The Journal of chemical physics 140 (10), 104112, 2014
812014
Full configuration interaction excitations of ethene and butadiene: Resolution of an ancient question
C Daday, S Smart, GH Booth, A Alavi, C Filippi
Journal of chemical theory and computation 8 (11), 4441-4451, 2012
702012
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Artiklar 1–20