| Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... The Journal of chemical physics 153 (2), 2020 | 591 | 2020 |
| Third-order algebraic diagrammatic construction theory for electron attachment and ionization energies: Conventional and Green’s function implementation S Banerjee, AY Sokolov The Journal of Chemical Physics 151 (22), 2019 | 44 | 2019 |
| Efficient implementation of the single-reference algebraic diagrammatic construction theory for charged excitations: Applications to the TEMPO radical and DNA base pairs S Banerjee, AY Sokolov The Journal of Chemical Physics 154 (7), 2021 | 21 | 2021 |
| Electrochemical Strategy for Proton Relay Installation Enhances the Activity of a Hydrogen Evolution Electrocatalyst S Lin, S Banerjee, MT Fortunato, C Xue, J Huang, AY Sokolov, C Turro Journal of the American Chemical Society 144 (44), 20267-20277, 2022 | 8 | 2022 |
| Non-Dyson algebraic diagrammatic construction theory for charged excitations in solids S Banerjee, AY Sokolov Journal of Chemical Theory and Computation 18 (9), 5337-5348, 2022 | 7 | 2022 |
| Algebraic Diagrammatic Construction Theory for Simulating Charged Excited States and Photoelectron Spectra S Banerjee, AY Sokolov Journal of Chemical Theory and Computation 19 (11), 3037-3053, 2023 | 6 | 2023 |
| Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations TL Stahl, S Banerjee, AY Sokolov The Journal of Chemical Physics 157 (4), 2022 | 4 | 2022 |
| Relativistic resolution-of-the-identity with Cholesky integral decomposition S Banerjee, T Zhang, KG Dyall, X Li The Journal of Chemical Physics 159 (11), 2023 | 2 | 2023 |
| Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory T Zhang, S Banerjee, LN Koulias, EF Valeev, AE DePrince III, X Li The Journal of Physical Chemistry A, 2024 | | 2024 |
| Development and efficient implementation of algebraic diagrammatic construction theory for charged excitations of molecules and materials S Banerjee The Ohio State University, 2022 | | 2022 |
Alexander SokolovAssociate ProfessorVerified email at osu.edu
