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The Journal of Chemical Physics
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June 1, 2022
Examining fundamental and excitation gaps at the thermodynamic limit: A combined (QTP) DFT and coupled cluster study on trans-polyacetylene and polyacene
Zachary W Windom, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
March 9, 2022
Benchmarking isotropic hyperfine coupling constants using (QTP) DFT functionals and coupled cluster theory
Zachary W Windom, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
November 3, 2019
Equation of motion coupled-cluster for core excitation spectra: Two complementary approaches
Young Choon Park, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
December 3, 2017
A note on the accuracy of KS-DFT densities
Duminda S Ranasinghe, Ajith Perera, Rodney J Bartlett
The Journal of Physical Chemistry. A
|
June 19, 2025
Tribute to Rodney J. Bartlett
John F Stanton, Ajith Perera, P G Szalay
The Journal of Physical Chemistry. A
|
March 11, 2009
First calculations of 15N-15N J values and new calculations of chemical shifts for high nitrogen systems: a comment on the long search for HN5 and its pentazole anion
S Ajith Perera, Adriana Gregusová, Rodney J Bartlett
The Journal of Chemical Physics
|
September 8, 2022
Density functionals for core excitations
Young Choon Park, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
May 1, 2017
Benchmark coupled-cluster g-tensor calculations with full inclusion of the two-particle spin-orbit contributions
Ajith Perera, Jürgen Gauss, Prakash Verma, et al.
The Journal of Physical Chemistry. A
|
January 14, 2023
<i>Dark</i> Doubly Excited States with Modified Coupled Cluster Models: A Reliable Compromise between Cost and Accuracy?
Varun Rishi, Moneesha Ravi, Ajith Perera, et al.
The Journal of Chemical Physics
|
April 17, 2017
Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?
Varun Rishi, Ajith Perera, Marcel Nooijen, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 57) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
June 1, 2022
Examining fundamental and excitation gaps at the thermodynamic limit: A combined (QTP) DFT and coupled cluster study on trans-polyacetylene and polyacene
Zachary W Windom, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
March 9, 2022
Benchmarking isotropic hyperfine coupling constants using (QTP) DFT functionals and coupled cluster theory
Zachary W Windom, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
November 3, 2019
Equation of motion coupled-cluster for core excitation spectra: Two complementary approaches
Young Choon Park, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
December 3, 2017
A note on the accuracy of KS-DFT densities
Duminda S Ranasinghe, Ajith Perera, Rodney J Bartlett
The Journal of Physical Chemistry. A
|
June 19, 2025
Tribute to Rodney J. Bartlett
John F Stanton, Ajith Perera, P G Szalay
The Journal of Physical Chemistry. A
|
March 11, 2009
First calculations of 15N-15N J values and new calculations of chemical shifts for high nitrogen systems: a comment on the long search for HN5 and its pentazole anion
S Ajith Perera, Adriana Gregusová, Rodney J Bartlett
The Journal of Chemical Physics
|
September 8, 2022
Density functionals for core excitations
Young Choon Park, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
May 1, 2017
Benchmark coupled-cluster g-tensor calculations with full inclusion of the two-particle spin-orbit contributions
Ajith Perera, Jürgen Gauss, Prakash Verma, et al.
The Journal of Physical Chemistry. A
|
January 14, 2023
<i>Dark</i> Doubly Excited States with Modified Coupled Cluster Models: A Reliable Compromise between Cost and Accuracy?
Varun Rishi, Moneesha Ravi, Ajith Perera, et al.
The Journal of Chemical Physics
|
April 17, 2017
Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?
Varun Rishi, Ajith Perera, Marcel Nooijen, et al.
Page
of 6