| 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 | 3237 | 2015 |
| 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 | 468 | 2010 |
| 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 | 331 | 2018 |
| 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 | 187 | 2010 |
| 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 | 149 | 2012 |
| 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 | 140 | 2020 |
| A review of canonical transformation theory E Neuscamman, T Yanai, GKL Chan International Reviews in Physical Chemistry 29 (2), 231-271, 2010 | 125 | 2010 |
| Quadratic canonical transformation theory and higher order density matrices E Neuscamman, T Yanai, GK Chan The Journal of chemical physics 130 (12), 2009 | 109 | 2009 |
| 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 | 101 | 2008 |
| 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 | 100 | 2009 |
| Size Consistency Error in the Antisymmetric Geminal Power Wave Function<? format?> can be Completely Removed E Neuscamman Physical review letters 109 (20), 203001, 2012 | 98 | 2012 |
| Enantioselective Nickel‐Catalyzed Intramolecular Allylic Alkenylations Enabled by Reversible Alkenylnickel E/Z Isomerization C Yap, GMJ Lenagh‐Snow, SN Karad, W Lewis, LJ Diorazio, HW Lam Angewandte Chemie International Edition 56 (28), 8216-8220, 2017 | 93* | 2017 |
| 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 | 92 | 2013 |
| Strongly contracted canonical transformation theory E Neuscamman, T Yanai, GK Chan The Journal of chemical physics 132 (2), 2010 | 82 | 2010 |
| 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 | 77 | 2016 |
| Communication: A mean field platform for excited state quantum chemistry JAR Shea, E Neuscamman The Journal of chemical physics 149 (8), 2018 | 72 | 2018 |
| 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 | 64 | 2008 |
| Communication: A Jastrow factor coupled cluster theory for weak and strong electron correlation E Neuscamman The Journal of chemical physics 139 (18), 2013 | 54 | 2013 |
| 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 | 53 | 2020 |
| 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 | 49 | 2017 |
