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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.
The Journal of Chemical Physics
(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
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
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
COMPUTER SIMULATIONS IN CONDENSED MATTER SYSTEMS: FROM MATERIALS TO CHEMICAL BIOLOGY, VOL 1
(2006)
703
685
(doi: 10.1007/3-540-35273-2_19)
A combinatorial approach to the electron correlation problem.
The Journal of chemical physics
(2005)
123
204106
(doi: 10.1063/1.2114849)
