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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
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
Physical chemistry chemical physics : PCCP
(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.
The Journal of Chemical Physics
(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 - art. no. 204106
The Journal of chemical physics
(2005)
123
204106
(doi: 10.1063/1.2114849)
