383 Bagley Hall Department of Chemistry
University of Washington
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Unveiling Hidden Shake-Up Features in the Uranyl M4-Edge Spectrum
Jordan N. Ehrman, Kirill Shumilov, Andrew J. Jenkins, Joseph M. Kasper, Tonya Vitova, Enrique R. Batista, Ping Yang, and Xiaosong Li

JACS Au2024, 4,3, 1134-1141
Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency
Kirill D. Shumilov, Andrew J. Jenkins, Henry S. La Pierre, Bess Vlaisavljevich, Xiaosong Li

Journal of the American Chemical Society2024, 146, 17, 12030-12039
State Interaction for Relativistic Four-Component Methods: Choose the Right Zeroth-Order Hamiltonian for Late-Row Elements
Chad E. Hoyer, Can Liao, Kirill D. Shumilov, Tianyuan Zhang, Xiaosong Li

Journal of Chemical Theory and Computation2024, 20, 18, 7969-7978
Correlated Dirac-Coulomb-Breit Multiconfigurational Self-Consistent-Field Methods
Chad E. Hoyer, Lixin Lu, Hang Hu, Kirill Shumilov, Shichao Sun, Stefan Knecht, and Xiaosong Li

Journal of Chemical Physics2023, 158, 044101

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