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George Booth
George Booth
在 kcl.ac.uk 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
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
13522018
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), 2009
8082009
Recent developments in the PySCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
The Journal of chemical physics 153 (2), 2020
6452020
The variational quantum eigensolver: a review of methods and best practices
J Tilly, H Chen, S Cao, D Picozzi, K Setia, Y Li, E Grant, L Wossnig, ...
Physics Reports 986, 1-128, 2022
6202022
Towards an exact description of electronic wavefunctions in real solids
GH Booth, A Grüneis, G Kresse, A Alavi
Nature 493 (7432), 365-370, 2013
5912013
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), 2010
4192010
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), 2011
1772011
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), 2010
1542010
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
1512012
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
1502011
Full configuration interaction perspective on the homogeneous electron gas
JJ Shepherd, G Booth, A Grüneis, A Alavi
Physical Review B 85 (8), 081103, 2012
1442012
Linear-scaling and parallelisable algorithms for stochastic quantum chemistry
GH Booth, SD Smart, A Alavi
Molecular Physics 112 (14), 1855-1869, 2014
1252014
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), 2012
1232012
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
1192015
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), 2011
1172011
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), 2014
1142014
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), 2015
1132015
Direct comparison of many-body methods for realistic electronic Hamiltonians
KT Williams, Y Yao, J Li, L Chen, H Shi, M Motta, C Niu, U Ray, S Guo, ...
Physical Review X 10 (1), 011041, 2020
1052020
An excited-state approach within full configuration interaction quantum Monte Carlo
NS Blunt, SD Smart, GH Booth, A Alavi
The Journal of Chemical Physics 143 (13), 2015
1032015
Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer
S Sharma, T Yanai, GH Booth, CJ Umrigar, GK Chan
The Journal of chemical physics 140 (10), 2014
1012014
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