Alexander Yu. Sokolov
Affiliations: | Chemistry and Biochemistry | Ohio State University, Columbus, Columbus, OH |
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"Alexander Sokolov"Children
Sign in to add trainee| Samragni Banerjee | grad student | 2017-2022 | Ohio State |
| Ilia Mazin | grad student | 2018-2023 | Ohio State |
| Koushik Chatterjee | post-doc | 2018-2020 | Ohio State |
| Carlos Eduardo Vieira | post-doc | 2021-2023 | Ohio State |
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Publications
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| Majumder R, Sokolov AY. (2025) Algebraic Diagrammatic Construction Theory of Charged Excitations with Consistent Treatment of Spin-Orbit Coupling and Dynamic Correlation. Journal of Chemical Theory and Computation. 21: 2414-2431 |
| Serna JD, Sokolov AY. (2025) Simulating Ionized States in Realistic Chemical Environments with Algebraic Diagrammatic Construction Theory and Polarizable Embedding. The Journal of Physical Chemistry. A. 129: 1156-1167 |
| de Moura CEV, Sokolov AY. (2024) Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-ray Photoelectron Spectra. The Journal of Physical Chemistry. A |
| Gaba NP, de Moura CEV, Majumder R, et al. (2024) Simulating transient X-ray photoelectron spectra of Fe(CO) and its photodissociation products with multireference algebraic diagrammatic construction theory. Physical Chemistry Chemical Physics : Pccp |
| Majumder R, Sokolov AY. (2024) Consistent Second-Order Treatment of Spin-Orbit Coupling and Dynamic Correlation in Quasidegenerate N-Electron Valence Perturbation Theory. Journal of Chemical Theory and Computation |
| Stahl TL, Sokolov AY. (2024) Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations. The Journal of Chemical Physics. 160 |
| Mazin IM, Sokolov AY. (2023) Core-Excited States and X-ray Absorption Spectra from Multireference Algebraic Diagrammatic Construction Theory. Journal of Chemical Theory and Computation |
| Banerjee S, Sokolov AY. (2023) Algebraic Diagrammatic Construction Theory for Simulating Charged Excited States and Photoelectron Spectra. Journal of Chemical Theory and Computation |
| Banerjee S, Sokolov AY. (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)]. The Journal of Chemical Physics. 158: 139901 |
| Bower JK, Reese MS, Mazin IM, et al. (2023) C(sp)-H cyanation by a formal copper(iii) cyanide complex. Chemical Science. 14: 1301-1307 |