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Robert Michael Parrish
Robert Michael Parrish
Quantum Chemistry, QC Ware Corporation
Geverifieerd e-mailadres voor qcware.com
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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
11512017
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
11012012
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
6942014
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
5722020
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), 2012
2732012
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
2292019
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
2042011
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
2022019
Tensor hypercontraction. II. Least-squares renormalization
RM Parrish, EG Hohenstein, TJ Martínez, CD Sherrill
The Journal of chemical physics 137 (22), 2012
1932012
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
1712012
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
1302014
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
1202014
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
1192020
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
982012
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
942013
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
932017
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
922012
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
892014
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
892013
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
842013
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