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The Journal of Chemical Physics
|
December 23, 2021
Multicomponent MP4 and the inclusion of triple excitations in multicomponent many-body methods
O Jonathan Fajen, Kurt R Brorsen
Journal of Chemical Theory and Computation
|
January 6, 2021
Multicomponent CASSCF Revisited: Large Active Spaces Are Needed for Qualitatively Accurate Protonic Densities
O Jonathan Fajen, Kurt R Brorsen
The Journal of Chemical Physics
|
March 9, 2021
Separation of electron-electron and electron-proton correlation in multicomponent orbital-optimized perturbation theory
O Jonathan Fajen, Kurt R Brorsen
The Journal of Physical Chemistry. A
|
February 26, 2026
Accelerating CCSD(T) on Graphical Processing Units (GPUs)
O Jonathan Fajen, Joseph E Kelly, Edward G Hohenstein, et al.
The Journal of Chemical Physics
|
March 5, 2026
Shadow excited state molecular dynamics with the ΔSCF method
O Jonathan Fajen, Oscar Grånäs, Todd J Martínez, et al.
The Journal of Chemical Physics
|
November 6, 2024
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications
Yuanheng Wang, Diptarka Hait, K Grace Johnson, et al.
Inorganic Chemistry
|
June 30, 2021
Systematic Investigation of the Molecular and Electronic Structure of Thorium and Uranium Phosphorus and Arsenic Complexes
Michael L Tarlton, O Jonathan Fajen, Steven P Kelley, et al.
Nature Communications
|
November 23, 2024
Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory
Eirik F Kjønstad, O Jonathan Fajen, Alexander C Paul, et al.
The Journal of Chemical Physics
|
June 24, 2024
Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning
Diptarka Hait, Dean Lahana, O Jonathan Fajen, et al.
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Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 23, 2021
Multicomponent MP4 and the inclusion of triple excitations in multicomponent many-body methods
O Jonathan Fajen, Kurt R Brorsen
Journal of Chemical Theory and Computation
|
January 6, 2021
Multicomponent CASSCF Revisited: Large Active Spaces Are Needed for Qualitatively Accurate Protonic Densities
O Jonathan Fajen, Kurt R Brorsen
The Journal of Chemical Physics
|
March 9, 2021
Separation of electron-electron and electron-proton correlation in multicomponent orbital-optimized perturbation theory
O Jonathan Fajen, Kurt R Brorsen
The Journal of Physical Chemistry. A
|
February 26, 2026
Accelerating CCSD(T) on Graphical Processing Units (GPUs)
O Jonathan Fajen, Joseph E Kelly, Edward G Hohenstein, et al.
The Journal of Chemical Physics
|
March 5, 2026
Shadow excited state molecular dynamics with the ΔSCF method
O Jonathan Fajen, Oscar Grånäs, Todd J Martínez, et al.
The Journal of Chemical Physics
|
November 6, 2024
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications
Yuanheng Wang, Diptarka Hait, K Grace Johnson, et al.
Inorganic Chemistry
|
June 30, 2021
Systematic Investigation of the Molecular and Electronic Structure of Thorium and Uranium Phosphorus and Arsenic Complexes
Michael L Tarlton, O Jonathan Fajen, Steven P Kelley, et al.
Nature Communications
|
November 23, 2024
Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory
Eirik F Kjønstad, O Jonathan Fajen, Alexander C Paul, et al.
The Journal of Chemical Physics
|
June 24, 2024
Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning
Diptarka Hait, Dean Lahana, O Jonathan Fajen, et al.
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of 1