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The Journal of Chemical Physics
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August 3, 2014
Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition
Robert M Parrish, C David Sherrill
Journal of Chemical Theory and Computation
|
February 1, 2019
Ab Initio Computation of Rotationally-Averaged Pump-Probe X-ray and Electron Diffraction Signals
Robert M Parrish, Todd J Martínez
Journal of the American Chemical Society
|
November 26, 2014
Quantum-mechanical evaluation of π-π versus substituent-π interactions in π stacking: direct evidence for the Wheeler-Houk picture
Robert M Parrish, C David Sherrill
The Journal of Chemical Physics
|
November 14, 2020
An ab initio exciton model for singlet fission
Xin Li, Robert M Parrish, Todd J Martínez
The Journal of Chemical Physics
|
April 10, 2016
Communication: A difference density picture for the self-consistent field ansatz
Robert M Parrish, Fang Liu, Todd J Martínez
Journal of Chemical Theory and Computation
|
November 21, 2015
Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition
Robert M Parrish, Trent M Parker, C David Sherrill
The Journal of Chemical Physics
|
July 17, 2016
Comment on "Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure" [J. Chem. Phys. 143, 064103 (2015)]
Robert M Parrish, Edward G Hohenstein, Todd J Martínez
The Journal of Chemical Physics
|
August 3, 2012
Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory
Edward G Hohenstein, Robert M Parrish, Todd J Martínez
The Journal of Chemical Physics
|
November 12, 2013
Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations
Robert M Parrish, Edward G Hohenstein, C David Sherrill
Journal of Chemical Theory and Computation
|
June 3, 2016
"Balancing" the Block Davidson-Liu Algorithm
Robert M Parrish, Edward G Hohenstein, Todd J Martínez
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
August 3, 2014
Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition
Robert M Parrish, C David Sherrill
Journal of Chemical Theory and Computation
|
February 1, 2019
Ab Initio Computation of Rotationally-Averaged Pump-Probe X-ray and Electron Diffraction Signals
Robert M Parrish, Todd J Martínez
Journal of the American Chemical Society
|
November 26, 2014
Quantum-mechanical evaluation of π-π versus substituent-π interactions in π stacking: direct evidence for the Wheeler-Houk picture
Robert M Parrish, C David Sherrill
The Journal of Chemical Physics
|
November 14, 2020
An ab initio exciton model for singlet fission
Xin Li, Robert M Parrish, Todd J Martínez
The Journal of Chemical Physics
|
April 10, 2016
Communication: A difference density picture for the self-consistent field ansatz
Robert M Parrish, Fang Liu, Todd J Martínez
Journal of Chemical Theory and Computation
|
November 21, 2015
Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition
Robert M Parrish, Trent M Parker, C David Sherrill
The Journal of Chemical Physics
|
July 17, 2016
Comment on "Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure" [J. Chem. Phys. 143, 064103 (2015)]
Robert M Parrish, Edward G Hohenstein, Todd J Martínez
The Journal of Chemical Physics
|
August 3, 2012
Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory
Edward G Hohenstein, Robert M Parrish, Todd J Martínez
The Journal of Chemical Physics
|
November 12, 2013
Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations
Robert M Parrish, Edward G Hohenstein, C David Sherrill
Journal of Chemical Theory and Computation
|
June 3, 2016
"Balancing" the Block Davidson-Liu Algorithm
Robert M Parrish, Edward G Hohenstein, Todd J Martínez
Page
of 5