| Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients T Shiozaki, W Győrffy, P Celani, HJ Werner The Journal of Chemical Physics 135 (8), 2011 | 493 | 2011 |
| Explicitly correlated multireference configuration interaction: MRCI-F12 T Shiozaki, G Knizia, HJ Werner The Journal of chemical physics 134 (3), 2011 | 298 | 2011 |
| BAGEL: brilliantly advanced general electronic‐structure library T Shiozaki Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1331, 2018 | 248* | 2018 |
| Multireference explicitly correlated F12 theories T Shiozaki, HJ Werner Molecular Physics 111 (5), 607-630, 2013 | 145 | 2013 |
| Communication: Second-order multireference perturbation theory with explicit correlation: CASPT2-F12 T Shiozaki, HJ Werner The Journal of chemical physics 133, 141103, 2010 | 139 | 2010 |
| On-the-fly CASPT2 surface-hopping dynamics JW Park, T Shiozaki Journal of chemical theory and computation 13 (8), 3676-3683, 2017 | 137 | 2017 |
| Analytical derivative coupling for multistate CASPT2 theory JW Park, T Shiozaki Journal of chemical theory and computation 13 (6), 2561-2570, 2017 | 137 | 2017 |
| Nuclear energy gradients for internally contracted complete active space second-order perturbation theory: Multistate extensions B Vlaisavljevich, T Shiozaki Journal of chemical theory and computation 12 (8), 3781-3787, 2016 | 129 | 2016 |
| Explicitly correlated multireference configuration interaction with multiple reference functions: Avoided crossings and conical intersections T Shiozaki, HJ Werner The Journal of chemical physics 134 (18), 2011 | 126 | 2011 |
| Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations T Shiozaki, M Kamiya, S Hirata, EF Valeev The Journal of chemical physics 129 (7), 2008 | 125 | 2008 |
| Multireference electron correlation methods: Journeys along potential energy surfaces JW Park, R Al-Saadon, MK MacLeod, T Shiozaki, B Vlaisavljevich Chemical Reviews 120 (13), 5878-5909, 2020 | 124 | 2020 |
| Analytical energy gradients for second-order multireference perturbation theory using density fitting W Győrffy, T Shiozaki, G Knizia, HJ Werner The Journal of Chemical Physics 138 (10), 2013 | 116 | 2013 |
| Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory MK MacLeod, T Shiozaki The Journal of Chemical Physics 142 (5), 2015 | 114 | 2015 |
| Model Hamiltonian analysis of singlet fission from first principles SM Parker, T Seideman, MA Ratner, T Shiozaki The Journal of Physical Chemistry C 118 (24), 12700-12705, 2014 | 107 | 2014 |
| On the difference between variational and unitary coupled cluster theories G Harsha, T Shiozaki, GE Scuseria The Journal of chemical physics 148 (4), 2018 | 103 | 2018 |
| Equations of explicitly-correlated coupled-cluster methods T Shiozaki, M Kamiya, S Hirata, EF Valeev Physical Chemistry Chemical Physics 10 (23), 3358-3370, 2008 | 93 | 2008 |
| Higher-order explicitly correlated coupled-cluster methods T Shiozaki, M Kamiya, S Hirata, EF Valeev The Journal of chemical physics 130 (5), 2009 | 92 | 2009 |
| Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers JJ Goings, A White, J Lee, CS Tautermann, M Degroote, C Gidney, ... Proceedings of the National Academy of Sciences 119 (38), e2203533119, 2022 | 81 | 2022 |
| Canonical transcorrelated theory with projected Slater-type geminals T Yanai, T Shiozaki The Journal of chemical physics 136 (8), 2012 | 81 | 2012 |
| Second-and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states T Shiozaki, K Hirao, S Hirata The Journal of chemical physics 126 (24), 2007 | 70 | 2007 |
