PSI4 1.4: Open-source software for high-throughput quantum chemistry DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ... The Journal of chemical physics 152 (18), 2020 | 823 | 2020 |
Re-examining ammonia addition to the Criegee intermediate: converging to chemical accuracy JP Misiewicz, SN Elliott, KB Moore, HF Schaefer Physical Chemistry Chemical Physics 20 (11), 7479-7491, 2018 | 45 | 2018 |
Quantum chemistry common driver and databases (QCDB) and quantum chemistry engine (QCEngine): Automation and interoperability among computational chemistry programs DGA Smith, AT Lolinco, ZL Glick, J Lee, A Alenaizan, TA Barnes, ... The Journal of chemical physics 155 (20), 2021 | 40 | 2021 |
Reduced density matrix cumulants: The combinatorics of size-consistency and generalized normal ordering JP Misiewicz, JM Turney, HF Schaefer III Journal of chemical theory and computation 16 (10), 6150-6164, 2020 | 14 | 2020 |
Sulfurous and sulfonic acids: Predicting the infrared spectrum and setting the surface straight JP Misiewicz, KB Moore, PR Franke, WJ Morgan, JM Turney, ... The Journal of chemical physics 152 (2), 2020 | 14 | 2020 |
Implementation of the Projective Quantum Eigensolver on a Quantum Computer JP Misiewicz, FA Evangelista The Journal of Physical Chemistry A 128 (11), 2220-2235, 2024 | 5 | 2024 |
The non-covalently bound SO⋯ H 2 O system, including an interpretation of the differences between SO⋯ H 2 O and O 2⋯ H 2 O JP Misiewicz, JA Noonan, JM Turney, HF Schaefer Physical Chemistry Chemical Physics 20 (45), 28840-28847, 2018 | 5 | 2018 |
Forte: A Suite of Advanced Multireference Quantum Chemistry Methods FA Evangelista, C Li, P Verma, KP Hannon, JB Schriber, T Zhang, C Cai, ... arXiv preprint arXiv:2405.10197, 2024 | 4 | 2024 |
Intruder-free cumulant-truncated driven similarity renormalization group second-order multireference perturbation theory S Li, JP Misiewicz, FA Evangelista The Journal of Chemical Physics 159 (11), 2023 | 3 | 2023 |
Assessing the orbital-optimized unitary Ansatz for density cumulant theory JP Misiewicz, JM Turney, HF Schaefer, AY Sokolov The Journal of Chemical Physics 153 (24), 2020 | 2 | 2020 |
Cumulants as the variables of density cumulant theory: A path to Hermitian triples JP Misiewicz, JM Turney, HF Schaefer The Journal of chemical physics 155 (24), 2021 | 1 | 2021 |
Ansätze for Density Cumulant Theory JP Misiewicz University of Georgia, 2020 | | 2020 |