Eric Neuscamman
Eric Neuscamman
Verifierad e-postadress på 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
20992015
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
3782010
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Liu
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
J., Wu, X., Brozell, SR, Steinbrecher, T., Gohlke, H., Cai, Q., Ye, X., Wang …, 2012
170*2012
Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory
T Yanai, Y Kurashige, E Neuscamman, GKL Chan
The Journal of chemical physics 132 (2), 024105, 2010
1562010
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
1292018
Optimizing large parameter sets in variational quantum Monte Carlo
E Neuscamman, CJ Umrigar, GKL Chan
Physical Review B 85 (4), 045103, 2012
992012
A review of canonical transformation theory
E Neuscamman, T Yanai, GKL Chan
International Reviews in Physical Chemistry 29 (2), 231-271, 2010
842010
Quadratic canonical transformation theory and higher order density matrices
E Neuscamman, T Yanai, GKL Chan
The Journal of chemical physics 130 (12), 124102, 2009
792009
Size consistency error in the antisymmetric geminal power wave function can be completely removed
E Neuscamman
Physical review letters 109 (20), 203001, 2012
772012
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
762008
A study of cumulant approximations to -electron valence multireference perturbation theory
D Zgid, D Ghosh, E Neuscamman, GKL Chan
The Journal of chemical physics 130 (19), 194107, 2009
702009
Strongly contracted canonical transformation theory
E Neuscamman, T Yanai, GKL Chan
The Journal of chemical physics 132 (2), 024106, 2010
692010
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), 194105, 2013
582013
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
522016
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
442008
Communication: A Jastrow factor coupled cluster theory for weak and strong electron correlation
E Neuscamman
The Journal of chemical physics 139 (18), 181101, 2013
412013
Striped spin liquid crystal ground state instability of kagome antiferromagnets
BK Clark, JM Kinder, E Neuscamman, GKL Chan, MJ Lawler
Physical review letters 111 (18), 187205, 2013
362013
Nonstochastic algorithms for Jastrow-Slater and correlator product state wave functions
E Neuscamman, H Changlani, J Kinder, GKL Chan
Physical Review B 84 (20), 205132, 2011
312011
Communication: A mean field platform for excited state quantum chemistry
JAR Shea, E Neuscamman
The Journal of chemical physics 149 (8), 081101, 2018
302018
Communication: A mean field platform for excited state quantum chemistry
JAR Shea, E Neuscamman
The Journal of chemical physics 149 (8), 081101, 2018
302018
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Artiklar 1–20