| 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 | 3465 | 2015 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 1254 | 2021 |
| Projected hartree–fock theory CA Jiménez-Hoyos, TM Henderson, T Tsuchimochi, GE Scuseria The Journal of chemical physics 136 (16), 2012 | 278 | 2012 |
| What can density functional theory tell us about artificial catalytic water splitting? MG Mavros, T Tsuchimochi, T Kowalczyk, A McIsaac, LP Wang, ... Inorganic chemistry 53 (13), 6386-6397, 2014 | 188 | 2014 |
| Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach T Kowalczyk, T Tsuchimochi, PT Chen, L Top, T Van Voorhis The Journal of chemical physics 138 (16), 2013 | 141 | 2013 |
| Strong correlations via constrained-pairing mean-field theory T Tsuchimochi, GE Scuseria The Journal of chemical physics 131 (12), 2009 | 115 | 2009 |
| Bootstrap embedding: An internally consistent fragment-based method M Welborn, T Tsuchimochi, T Van Voorhis The Journal of Chemical Physics 145 (7), 2016 | 102 | 2016 |
| Communication: ROHF theory made simple T Tsuchimochi, GE Scuseria The Journal of chemical physics 133 (14), 2010 | 100 | 2010 |
| Density matrix embedding in an antisymmetrized geminal power bath T Tsuchimochi, M Welborn, T Van Voorhis The Journal of chemical physics 143 (2), 2015 | 72 | 2015 |
| Binary dopant segregation enables hematite-based heterostructures for highly efficient solar H2O2 synthesis Z Zhang, T Tsuchimochi, T Ina, Y Kumabe, S Muto, K Ohara, H Yamada, ... Nature Communications 13 (1), 1499, 2022 | 58 | 2022 |
| Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals GE Scuseria, T Tsuchimochi The Journal of chemical physics 131 (16), 2009 | 49 | 2009 |
| Constrained active space unrestricted mean-field methods for controlling spin-contamination T Tsuchimochi, GE Scuseria The Journal of chemical physics 134 (6), 2011 | 45 | 2011 |
| Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures T Tsuchimochi, S Ten-No The Journal of Chemical Physics 144 (1), 2016 | 43 | 2016 |
| Extended Møller-Plesset perturbation theory for dynamical and static correlations T Tsuchimochi, T Van Voorhis The Journal of Chemical Physics 141 (16), 2014 | 43 | 2014 |
| Spin-projection for quantum computation: A low-depth approach to strong correlation T Tsuchimochi, Y Mori, SL Ten-No Physical Review Research 2 (4), 043142, 2020 | 42 | 2020 |
| Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems T Tsuchimochi The Journal of Chemical Physics 143 (14), 2015 | 38 | 2015 |
| Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities T Tsuchimochi, GE Scuseria, A Savin The Journal of chemical physics 132 (2), 2010 | 37 | 2010 |
| Improved algorithms of quantum imaginary time evolution for ground and excited states of molecular systems T Tsuchimochi, Y Ryo, SL Ten-No, K Sasasako Journal of Chemical Theory and Computation 19 (2), 503-513, 2023 | 36 | 2023 |
| Black-box description of electron correlation with the spin-extended configuration interaction model: Implementation and assessment T Tsuchimochi, S Ten-No Journal of Chemical Theory and Computation 12 (4), 1741-1759, 2016 | 34 | 2016 |
| Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree–Fock theory T Tsuchimochi, TM Henderson, GE Scuseria, A Savin The Journal of chemical physics 133 (13), 2010 | 30 | 2010 |
Troy Van VoorhisMITVerified email at mit.edu
