Xiaosong Li, University of Washington
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PAB B-421 TIQM Space (not C-421)
Recent advances in relativistic electronic structure theory have unveiled new dimensions of chemical reactivity and dynamics through molecular spectroscopy. Relativistic spectroscopies—probing the optical and magnetic responses of core and valence electrons (e.g., XANES, RIXS, XES, MCD, XMCD)—have become indispensable tools for exploring spin–orbit coupling and heavy-element chemistry. Likewise, spin-driven processes such as intersystem crossing, spin echo, and chiral-induced spin selectivity demand theoretical frameworks grounded in relativistic quantum mechanics.
In this presentation, I will discuss our recent developments in relativistic quantum dynamics and their applications to conical intersections, spin-polarized transport, and M-edge spectroscopy of heavy-element complexes. These methodological and conceptual advances provide a unified foundation for describing spin–photon–matter interactions and are poised to transform emerging areas across spectroscopy, magnetism, and quantum information science.