311A Bagley Hall Department of Chemistry
University of Washington
Seattle, WA 98195-1700

Direct Probe of Conical Intersection Photochemistry by Time-Resolved X-ray Magnetic Circular Dichroism
Shichao Sun, Bing Gu, Hang Hu, Lixin Lu, Diandong Tang, Vladimir Y. Chernyak, Xiaosong Li, Shaul Mukamel

Journal of the American Chemical Society2024, 146,29, 19863-19873
Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units
Mikael Kovtun, Eleftherios Lambros, Aodong Liu, Diandong Tang, David B. Williams-Young, Xiaosong Li

Journal of Chemical Theory and Computation2024, 20,18, 7694-7699
Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin–Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy
Diandong Tang, Shichao Sun, Xiaosong Li

Journal of Chemical Theory and Computation2024, 20, 22, 9917-9927

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