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Robert Michael Parrish
Robert Michael Parrish
Chemistry Simulations, QC Ware Corporation
Verified email at qcware.com
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Year
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
9582017
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
9312012
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), 094106, 2014
5202014
Tensor hypercontraction density fitting. I. Quartic scaling second-and third-order Mřller-Plesset perturbation theory
EG Hohenstein, RM Parrish, TJ Martínez
The Journal of chemical physics 137 (4), 044103, 2012
2352012
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), 184108, 2020
2342020
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
1692011
Tensor hypercontraction. II. Least-squares renormalization
RM Parrish, EG Hohenstein, TJ Martínez, CD Sherrill
The Journal of chemical physics 137 (22), 224106, 2012
1572012
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), 221101, 2012
1432012
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
1372019
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
1292019
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
1082014
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
972014
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), 124305, 2012
942012
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
832012
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), 124111, 2013
802013
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
802013
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
782017
Tensor Hypercontraction Equation-of-Motion Second-Order Approximate Coupled Cluster: Electronic Excitation Energies in O (N 4) Time
EG Hohenstein, SIL Kokkila, RM Parrish, TJ Martínez
The Journal of Physical Chemistry B 117 (42), 12972-12978, 2013
752013
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), 044115, 2014
722014
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
722013
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