Alex Thom
Alex Thom
University Lecturer in Theoretical Chemistry, University of Cambridge
Verified email at cam.ac.uk - Homepage
TitleCited byYear
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
12622015
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
4062009
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
1062011
Stochastic Coupled Cluster Theory
AJW Thom
Physical review letters 105 (26), 263004, 2010
602010
Locating Multiple Self-Consistent Field Solutions: An Approach Inspired by Metadynamics
AJW Thom, M Head-Gordon
Physical review letters 101 (19), 193001, 2008
602008
Novel H2 Activation by a Tris [3, 5-bis (trifluoromethyl) phenyl] borane Frustrated Lewis Pair
TJ Herrington, AJW Thom, AJP White, AE Ashley
Dalton Transactions, 2012
572012
Hartree–Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction
AJW Thom, M Head-Gordon
The Journal of chemical physics 131 (12), 124113, 2009
512009
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
AJW Thom, EJ Sundstrom, M Head-Gordon
Physical Chemistry Chemical Physics 11 (47), 11297-11304, 2009
512009
Stochastic Perturbation Theory: A Low-Scaling Approach to Correlated Electronic Energies
AJW Thom, A Alavi
Physical review letters 99 (14), 143001, 2007
292007
Developments in stochastic coupled cluster theory: The initiator approximation and application to the uniform electron gas
JS Spencer, AJW Thom
The Journal of chemical physics 144 (8), 084108, 2016
262016
Linked coupled cluster Monte Carlo
RST Franklin, JS Spencer, A Zoccante, AJW Thom
The Journal of chemical physics 144 (4), 044111, 2016
202016
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion
CJC Scott, AJW Thom
The Journal of Chemical Physics 147 (12), 124105, 2017
172017
Choosing RASSCF orbital active spaces for multiple electronic states
F Krausbeck, D Mendive-Tapia, AJW Thom, MJ Bearpark
Computational and Theoretical Chemistry 1040, 14-19, 2014
172014
A study of the dense uniform electron gas with high orders of coupled cluster
VA Neufeld, AJW Thom
The Journal of Chemical Physics 147 (19), 194105, 2017
152017
A combinatorial approach to the electron correlation problem
AJW Thom, A Alavi
The Journal of chemical physics 123 (20), 204106, 2005
132005
Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo
WA Vigor, JS Spencer, MJ Bearpark, AJW Thom
The Journal of chemical physics 144 (9), 094110, 2016
122016
Minimising biases in full configuration interaction quantum Monte Carlo
WA Vigor, JS Spencer, MJ Bearpark, AJW Thom
The Journal of Chemical Physics 142 (10), 104101, 2015
122015
Holomorphic Hartree–Fock theory: an inherently multireference approach
HGA Burton, AJW Thom
Journal of chemical theory and computation 12 (1), 167-173, 2015
112015
Open-Source Development Experiences in Scientific Software: The HANDE Quantum Monte Carlo Project
JS Spencer, NS Blunt, WA Vigor, FD Malone, WMC Foulkes, JJ Shepherd, ...
Journal of Open Research Software 3 (1), 2015
11*2015
Holomorphic Hartree–Fock Theory and Configuration Interaction
HG Hiscock, AJW Thom
Journal of Chemical Theory and Computation 10 (11), 4795-4800, 2014
112014
The system can't perform the operation now. Try again later.
Articles 1–20