| Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ... Journal of chemical theory and computation 13 (7), 3185-3197, 2017 | 1158 | 2017 |
| Psi4: an open‐source ab initio electronic structure program JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 2012 | 1104 | 2012 |
| Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies TM Parker, LA Burns, RM Parrish, AG Ryno, CD Sherrill The Journal of chemical physics 140 (9), 2014 | 699 | 2014 |
| 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 | 583 | 2020 |
| Tensor hypercontraction density fitting. I. Quartic scaling second-and third-order Møller-Plesset perturbation theory EG Hohenstein, RM Parrish, TJ Martínez The Journal of chemical physics 137 (4), 2012 | 274 | 2012 |
| Quantum computation of electronic transitions using a variational quantum eigensolver RM Parrish, EG Hohenstein, PL McMahon, TJ Martínez Physical Review Letters 122 (23), 230401, 2019 | 235 | 2019 |
| Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: Investigating the fundamental forces of DNA … EG Hohenstein, RM Parrish, CD Sherrill, JM Turney, HF Schaefer III The Journal of chemical physics 135 (17), 174107, 2011 | 206 | 2011 |
| The photochemical ring-opening of 1, 3-cyclohexadiene imaged by ultrafast electron diffraction TJA Wolf, DM Sanchez, J Yang, RM Parrish, JPF Nunes, M Centurion, ... Nature chemistry 11 (6), 504-509, 2019 | 205 | 2019 |
| Tensor hypercontraction. II. Least-squares renormalization RM Parrish, EG Hohenstein, TJ Martínez, CD Sherrill The Journal of chemical physics 137 (22), 2012 | 194 | 2012 |
| Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions EG Hohenstein, RM Parrish, CD Sherrill, TJ Martínez The Journal of chemical physics 137 (22), 2012 | 172 | 2012 |
| Quantum-Mechanical Evaluation of π–π versus Substituent− π Interactions in π Stacking: Direct Evidence for the Wheeler–Houk Picture RM Parrish, CD Sherrill Journal of the American Chemical Society 136 (50), 17386-17389, 2014 | 131 | 2014 |
| Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction J Yang, X Zhu, JP F. Nunes, JK Yu, RM Parrish, TJA Wolf, M Centurion, ... Science 368 (6493), 885-889, 2020 | 123 | 2020 |
| Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition RM Parrish, TM Parker, CD Sherrill Journal of Chemical Theory and Computation 10 (10), 4417-4431, 2014 | 121 | 2014 |
| On the relationship between bond-length alternation and many-electron self-interaction error T Körzdörfer, RM Parrish, JS Sears, CD Sherrill, JL Brédas The Journal of chemical physics 137 (12), 2012 | 98 | 2012 |
| Quantum-Mechanical Analysis of the Energetic Contributions to π Stacking in Nucleic Acids versus Rise, Twist, and Slide TM Parker, EG Hohenstein, RM Parrish, NV Hud, CD Sherrill Journal of the American Chemical Society 135 (4), 1306-1316, 2013 | 94 | 2013 |
| An ab initio exciton model including charge-transfer excited states X Li, RM Parrish, F Liu, SIL Kokkila Schumacher, TJ Martínez Journal of chemical theory and computation 13 (8), 3493-3504, 2017 | 93 | 2017 |
| Do Deuteriums Form Stronger CH− π Interactions? C Zhao, RM Parrish, MD Smith, PJ Pellechia, CD Sherrill, KD Shimizu Journal of the American Chemical Society 134 (35), 14306-14309, 2012 | 92 | 2012 |
| Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition RM Parrish, CD Sherrill The Journal of chemical physics 141 (4), 2014 | 89 | 2014 |
| Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2 EG Hohenstein, SIL Kokkila, RM Parrish, TJ Martínez The Journal of chemical physics 138 (12), 2013 | 89 | 2013 |
| Exact Tensor Hypercontraction: A Universal Technique for the Resolution of Matrix Elements of Local Finite-Range N-Body Potentials in Many-Body Quantum Problems RM Parrish, EG Hohenstein, NF Schunck, CD Sherrill, TJ Martínez Physical Review Letters 111 (13), 132505, 2013 | 84 | 2013 |
Todd J MartinezStanford UniversityE-mail confirmado em stanford.edu
