2 papers
physics.chem-ph2026
Time-Dependent Relativistic Two-Component Equation-of-Motion Coupled-Cluster for Open-Shell Systems: TD-EA/IP-EOMCC
P. D. Varuna S. Pathirage, Stephen H. Yuwono, Xiaosong Li +1
We present a combined imaginary-time/real-time time-dependent (TD) approach for evaluating linear absorption spectra of open-shell systems at the electron attachment (EA) and ioniz…
physics.chem-ph2025
Simulation of Vibronic Strong Coupling and Cavity-Modified Hydrogen Tunneling Dynamics
Scott M. Garner, Xiaosong Li, Sharon Hammes-Schiffer
Polaritons have gained significant attention for the tantalizing possibility of modifying chemical properties and dynamics by coupling molecules to resonant cavity modes to create…