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Eric Neuscamman
Eric Neuscamman
Verified email at berkeley.edu
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
31672015
Mechanical control of spin states in spin-1 molecules and the underscreened Kondo effect
JJ Parks, AR Champagne, TA Costi, WW Shum, AN Pasupathy, ...
Science 328 (5984), 1370-1373, 2010
4612010
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ...
Journal of Physics: Condensed Matter 30 (19), 195901, 2018
3062018
Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory
T Yanai, Y Kurashige, E Neuscamman, GK Chan
The Journal of chemical physics 132 (2), 2010
1852010
Optimizing large parameter sets in variational quantum Monte Carlo
E Neuscamman, CJ Umrigar, GKL Chan
Physical Review B—Condensed Matter and Materials Physics 85 (4), 045103, 2012
1442012
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ...
The Journal of chemical physics 152 (17), 2020
1272020
A review of canonical transformation theory
E Neuscamman, T Yanai, GKL Chan
International Reviews in Physical Chemistry 29 (2), 231-271, 2010
1212010
Quadratic canonical transformation theory and higher order density matrices
E Neuscamman, T Yanai, GK Chan
The Journal of chemical physics 130 (12), 2009
1062009
Size Consistency Error in the Antisymmetric Geminal Power Wave Function<? format?> can be Completely Removed
E Neuscamman
Physical review letters 109 (20), 203001, 2012
1022012
A study of cumulant approximations to n-electron valence multireference perturbation theory
D Zgid, D Ghosh, E Neuscamman, GK Chan
The Journal of chemical physics 130 (19), 2009
972009
An introduction to the density matrix renormalization group ansatz in quantum chemistry
GKL Chan, JJ Dorando, D Ghosh, J Hachmann, E Neuscamman, H Wang, ...
Frontiers in quantum systems in chemistry and physics, 49-65, 2008
972008
The Jastrow antisymmetric geminal power in Hilbert space: Theory, benchmarking, and application to a novel transition state
E Neuscamman
The Journal of chemical physics 139 (19), 2013
922013
Strongly contracted canonical transformation theory
E Neuscamman, T Yanai, GK Chan
The Journal of chemical physics 132 (2), 2010
812010
An efficient variational principle for the direct optimization of excited states
L Zhao, E Neuscamman
Journal of chemical theory and computation 12 (8), 3436-3440, 2016
732016
Communication: A mean field platform for excited state quantum chemistry
JAR Shea, E Neuscamman
The Journal of chemical physics 149 (8), 2018
712018
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Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
N. Engl. J. Med 363, 1693-1703, 2010
62*2010
Frontiers in Quantum Systems in Chemistry and Physics
GKL Chan, JJ Dorando, D Ghosh, J Hachmann, E Neuscamman, H Wang, ...
Progress in Theoretical Chemistry and Physics 18, 49-65, 2008
582008
Communication: A Jastrow factor coupled cluster theory for weak and strong electron correlation
E Neuscamman
The Journal of chemical physics 139 (18), 2013
532013
A generalized variational principle with applications to excited state mean field theory
JAR Shea, E Gwin, E Neuscamman
Journal of chemical theory and computation 16 (3), 1526-1540, 2020
492020
Size consistent excited states via algorithmic transformations between variational principles
JAR Shea, E Neuscamman
Journal of Chemical Theory and Computation 13 (12), 6078-6088, 2017
482017
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