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Samragni Banerjee
Samragni Banerjee
Postdoctoral Researcher, University of Washington
在 uw.edu 的电子邮件经过验证 - 首页
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引用次数
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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
6782020
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
452019
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
232021
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
112022
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
82022
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
72023
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
42022
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
22023
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 128 (17), 3408-3418, 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
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