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Journal of Chemical Theory and Computation
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August 17, 2022
Non-Dyson Algebraic Diagrammatic Construction Theory for Charged Excitations in Solids
Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
February 20, 2021
Efficient implementation of the single-reference algebraic diagrammatic construction theory for charged excitations: Applications to the TEMPO radical and DNA base pairs
Samragni Banerjee, Alexander Yu Sokolov
Journal of Chemical Theory and Computation
|
May 16, 2023
Algebraic Diagrammatic Construction Theory for Simulating Charged Excited States and Photoelectron Spectra
Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
April 8, 2023
Erratum: "Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green's function implementation" [J. Chem. Phys. 151, 224112 (2019)]
Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
December 16, 2019
Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green's function implementation
Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
August 3, 2022
Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations
Terrence L Stahl, Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
September 20, 2023
Relativistic resolution-of-the-identity with Cholesky integral decomposition
Samragni Banerjee, Tianyuan Zhang, Kenneth G Dyall, et al.
Journal of the American Chemical Society
|
October 28, 2022
Electrochemical Strategy for Proton Relay Installation Enhances the Activity of a Hydrogen Evolution Electrocatalyst
Shaoyang Lin, Samragni Banerjee, Matthew T Fortunato, et al.
The Journal of Physical Chemistry. A
|
April 23, 2024
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory
Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, et al.
The Journal of Chemical Physics
|
July 17, 2020
Recent developments in the PySCF program package
Qiming Sun, Xing Zhang, Samragni Banerjee, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
August 17, 2022
Non-Dyson Algebraic Diagrammatic Construction Theory for Charged Excitations in Solids
Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
February 20, 2021
Efficient implementation of the single-reference algebraic diagrammatic construction theory for charged excitations: Applications to the TEMPO radical and DNA base pairs
Samragni Banerjee, Alexander Yu Sokolov
Journal of Chemical Theory and Computation
|
May 16, 2023
Algebraic Diagrammatic Construction Theory for Simulating Charged Excited States and Photoelectron Spectra
Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
April 8, 2023
Erratum: "Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green's function implementation" [J. Chem. Phys. 151, 224112 (2019)]
Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
December 16, 2019
Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green's function implementation
Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
August 3, 2022
Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations
Terrence L Stahl, Samragni Banerjee, Alexander Yu Sokolov
The Journal of Chemical Physics
|
September 20, 2023
Relativistic resolution-of-the-identity with Cholesky integral decomposition
Samragni Banerjee, Tianyuan Zhang, Kenneth G Dyall, et al.
Journal of the American Chemical Society
|
October 28, 2022
Electrochemical Strategy for Proton Relay Installation Enhances the Activity of a Hydrogen Evolution Electrocatalyst
Shaoyang Lin, Samragni Banerjee, Matthew T Fortunato, et al.
The Journal of Physical Chemistry. A
|
April 23, 2024
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory
Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, et al.
The Journal of Chemical Physics
|
July 17, 2020
Recent developments in the PySCF program package
Qiming Sun, Xing Zhang, Samragni Banerjee, et al.
Page
of 1