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The Journal of Chemical Physics
|
January 17, 2015
Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states
Yinan Shu, Edward G Hohenstein, Benjamin G Levine
The Journal of Physical Chemistry. A
|
August 20, 2009
An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the methane dimer, benzene-methane, and benzene-H2S
C David Sherrill, Tait Takatani, Edward G Hohenstein
Journal of the American Chemical Society
|
August 6, 2011
Origin of the surprising enhancement of electrostatic energies by electron-donating substituents in substituted sandwich benzene dimers
Edward G Hohenstein, Jiana Duan, C David Sherrill
The Journal of Chemical Physics
|
April 2, 2008
Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy
Tait Takatani, Edward G Hohenstein, C David Sherrill
The Journal of Physical Chemistry. A
|
December 18, 2023
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning
Bhaskar Rana, Edward G Hohenstein, Todd J Martínez
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
|
August 4, 2017
Robust and Efficient Spin Purification for Determinantal Configuration Interaction
B Scott Fales, Edward G Hohenstein, Benjamin G Levine
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 7
Search research articles
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Showing results (11-20 of 68) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
January 17, 2015
Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states
Yinan Shu, Edward G Hohenstein, Benjamin G Levine
The Journal of Physical Chemistry. A
|
August 20, 2009
An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the methane dimer, benzene-methane, and benzene-H2S
C David Sherrill, Tait Takatani, Edward G Hohenstein
Journal of the American Chemical Society
|
August 6, 2011
Origin of the surprising enhancement of electrostatic energies by electron-donating substituents in substituted sandwich benzene dimers
Edward G Hohenstein, Jiana Duan, C David Sherrill
The Journal of Chemical Physics
|
April 2, 2008
Improvement of the coupled-cluster singles and doubles method via scaling same- and opposite-spin components of the double excitation correlation energy
Tait Takatani, Edward G Hohenstein, C David Sherrill
The Journal of Physical Chemistry. A
|
December 18, 2023
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning
Bhaskar Rana, Edward G Hohenstein, Todd J Martínez
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
|
August 4, 2017
Robust and Efficient Spin Purification for Determinantal Configuration Interaction
B Scott Fales, Edward G Hohenstein, Benjamin G Levine
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 7