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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 Transactions
(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
The Journal of chemical physics
(2011)
135
084104
(doi: 10.1063/1.3624383)
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
Phys Chem Chem Phys
(2009)
11
11297
(doi: 10.1039/b915364k)
Hartree-Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction.
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
Journal of Chemical Physics
(2009)
131
054106
(doi: 10.1063/1.3193710)
Locating multiple self-consistent field solutions: An approach inspired by metadynamics
Phys Rev Lett
(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.
Phys Rev Lett
(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)
