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The Journal of Chemical Physics
|
November 4, 2025
Benchmarking ionization potentials and electron affinities of potential photovoltaic molecules using DFT/QTP functionals and EOM-CC
Hyunsik Kim, Ajith Perera, Rodrigo A Mendes, et al.
The Journal of Chemical Physics
|
October 10, 2019
Similarity-transformed equation-of-motion coupled-cluster singles and doubles method with spin-orbit effects for excited states
Denis Bokhan, Dmitrii N Trubnikov, Ajith Perera, et al.
The Journal of Physical Chemistry. A
|
March 29, 2007
Structure, spectra, and rearrangement mechanism of PH2F3: revisiting a classic problem in structural inorganic chemistry
Sébastien Villaume, Alain Strich, S Ajith Perera, et al.
The Journal of Chemical Physics
|
November 4, 2017
Excitation energies with spin-orbit couplings using equation-of-motion coupled-cluster singles and doubles eigenvectors
Denis Bokhan, Ajith Perera, Dmitrii N Trubnikov, et al.
The Journal of Chemical Physics
|
October 27, 2016
Explicitly correlated coupled-cluster theory for static polarizabilities
Denis Bokhan, Dmitrii N Trubnikov, Ajith Perera, et al.
The Journal of Chemical Physics
|
January 5, 2024
A comparison of QTP functionals against coupled-cluster methods for EAs of small organic molecules
Abigail Pavlicek, Zachary W Windom, Ajith Perera, et al.
The Journal of Chemical Physics
|
November 2, 2015
Approximating electronically excited states with equation-of-motion linear coupled-cluster theory
Jason N Byrd, Varun Rishi, Ajith Perera, et al.
The Journal of Chemical Physics
|
September 1, 2023
Excited states with pair coupled cluster doubles tailored coupled cluster theory
Moneesha Ravi, Ajith Perera, Young Choon Park, et al.
The Journal of Chemical Physics
|
May 19, 2025
EOM-CCSD calculation of metal K pre-edge spectra: 3d transition metal tetrachlorides
Young Choon Park, Ajith Perera, Hyunsik Kim, et al.
The Journal of Chemical Physics
|
June 1, 2022
The intermediate state approach for doubly excited dark states in EOM-coupled-cluster theory
Moneesha Ravi, Young Choon Park, Ajith Perera, et al.
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of 6
Search research articles
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Showing results (21-30 of 57) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
November 4, 2025
Benchmarking ionization potentials and electron affinities of potential photovoltaic molecules using DFT/QTP functionals and EOM-CC
Hyunsik Kim, Ajith Perera, Rodrigo A Mendes, et al.
The Journal of Chemical Physics
|
October 10, 2019
Similarity-transformed equation-of-motion coupled-cluster singles and doubles method with spin-orbit effects for excited states
Denis Bokhan, Dmitrii N Trubnikov, Ajith Perera, et al.
The Journal of Physical Chemistry. A
|
March 29, 2007
Structure, spectra, and rearrangement mechanism of PH2F3: revisiting a classic problem in structural inorganic chemistry
Sébastien Villaume, Alain Strich, S Ajith Perera, et al.
The Journal of Chemical Physics
|
November 4, 2017
Excitation energies with spin-orbit couplings using equation-of-motion coupled-cluster singles and doubles eigenvectors
Denis Bokhan, Ajith Perera, Dmitrii N Trubnikov, et al.
The Journal of Chemical Physics
|
October 27, 2016
Explicitly correlated coupled-cluster theory for static polarizabilities
Denis Bokhan, Dmitrii N Trubnikov, Ajith Perera, et al.
The Journal of Chemical Physics
|
January 5, 2024
A comparison of QTP functionals against coupled-cluster methods for EAs of small organic molecules
Abigail Pavlicek, Zachary W Windom, Ajith Perera, et al.
The Journal of Chemical Physics
|
November 2, 2015
Approximating electronically excited states with equation-of-motion linear coupled-cluster theory
Jason N Byrd, Varun Rishi, Ajith Perera, et al.
The Journal of Chemical Physics
|
September 1, 2023
Excited states with pair coupled cluster doubles tailored coupled cluster theory
Moneesha Ravi, Ajith Perera, Young Choon Park, et al.
The Journal of Chemical Physics
|
May 19, 2025
EOM-CCSD calculation of metal K pre-edge spectra: 3d transition metal tetrachlorides
Young Choon Park, Ajith Perera, Hyunsik Kim, et al.
The Journal of Chemical Physics
|
June 1, 2022
The intermediate state approach for doubly excited dark states in EOM-coupled-cluster theory
Moneesha Ravi, Young Choon Park, Ajith Perera, et al.
Page
of 6