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- Currently displaying 81 - 91 of 91 publications
Novel H 2 activation by a tris[3,5-bis(trifluoromethyl)phenyl]borane frustrated Lewis pair
Dalton Trans
(2012)
41
9019
(doi: 10.1039/c2dt30384a)
Breaking the carbon dimer: the challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods.
J Chem Phys
(2011)
135
084104
(doi: 10.1063/1.3624383)
Stochastic coupled cluster theory
Physical Review Letters
(2010)
105
263004
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
Physical Chemistry Chemical Physics
(2009)
11
11297
(doi: 10.1039/b915364k)
Hartree-Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction.
The Journal of chemical physics
(2009)
131
124113
(doi: 10.1063/1.3236841)
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
J Chem Phys
(2009)
131
054106
(doi: 10.1063/1.3193710)
Locating Multiple Self-Consistent Field Solutions: An Approach Inspired by Metadynamics
Physical review letters
(2008)
101
193001
Electron correlation from path resummations: the double-excitation star.
Phys Chem Chem Phys
(2008)
10
652
(doi: 10.1039/b715773h)
Stochastic Perturbation Theory: A Low-Scaling Approach to Correlated Electronic Energies
Physical Review Letters
(2007)
99
143001
Path Resummations and the Fermion Sign Problem
Lecture Notes in Physics
(2006)
703
685
(doi: 10.1007/3-540-35273-2_19)
A combinatorial approach to the electron correlation problem.
Journal of Chemical Physics
(2005)
123
204106
(doi: 10.1063/1.2114849)
