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  • Currently displaying 81 - 90 of 90 publications
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
– J Chem Phys
(2011)
135,
084104
Stochastic coupled cluster theory.
AJW Thom
– Physical review letters
(2010)
105,
263004
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 : PCCP
(2009)
11,
11297
Hartree-Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction.
AJW Thom, M Head-Gordon
– The Journal of chemical physics
(2009)
131,
124113
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
(2009)
131,
054106
Locating multiple self-consistent field solutions: An approach inspired by metadynamics
AJW Thom, M Head-Gordon
– Physical review letters
(2008)
101,
193001
Electron correlation from path resummations: The double-excitation star
AJW Thom, GH Booth, A Alavi
– Phys Chem Chem Phys
(2008)
10,
652
Stochastic Perturbation Theory: A Low-Scaling Approach to Correlated Electronic Energies
AJW Thom, A Alavi
– Phys Rev Lett
(2007)
99,
143001
Path resummations and the Fermion sign problem
A Alavi, AJW Thom
– COMPUTER SIMULATIONS IN CONDENSED MATTER SYSTEMS: FROM MATERIALS TO CHEMICAL BIOLOGY, VOL 1
(2006)
703,
685
A combinatorial approach to the electron correlation problem.
AJW Thom, A Alavi
– The Journal of Chemical Physics
(2005)
123,
204106