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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
30102015
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
4522010
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
2772018
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
1802010
Optimizing large parameter sets in variational quantum Monte Carlo
E Neuscamman, CJ Umrigar, GKL Chan
Physical Review B 85 (4), 045103, 2012
1392012
A review of canonical transformation theory
E Neuscamman, T Yanai, GKL Chan
International Reviews in Physical Chemistry 29 (2), 231-271, 2010
1142010
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
1072020
Size consistency error in the antisymmetric geminal power wave function can be completely removed
E Neuscamman
Physical review letters 109 (20), 203001, 2012
992012
Quadratic canonical transformation theory and higher order density matrices
E Neuscamman, T Yanai, GK Chan
The Journal of chemical physics 130 (12), 2009
992009
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
872013
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
862009
Strongly contracted canonical transformation theory
E Neuscamman, T Yanai, GK Chan
The Journal of chemical physics 132 (2), 2010
792010
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
682016
Communication: A mean field platform for excited state quantum chemistry
JAR Shea, E Neuscamman
The Journal of chemical physics 149 (8), 2018
652018
Communication: A mean field platform for excited state quantum chemistry
JAR Shea, E Neuscamman
The Journal of chemical physics 149 (8), 2018
652018
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Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Chem. Commun 54, 6883-6886, 2018
542018
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
542008
Communication: A Jastrow factor coupled cluster theory for weak and strong electron correlation
E Neuscamman
The Journal of chemical physics 139 (18), 2013
532013
Excited state specific multi-Slater Jastrow wave functions
SD Pineda Flores, E Neuscamman
The Journal of Physical Chemistry A 123 (8), 1487-1497, 2019
472019
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