3 papers
physics.chem-ph2026
Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules Interacting with Light
Yetmgeta Aklilu, Tiany Yang, Cody Covington +1
We study light-mediated interactions between spatially separated molecules using real-time quantum electrodynamical time-dependent density functional theory based on the Pauli-Fier…
physics.chem-ph2025
Ultrafast Relaxation Dynamics of Inner-Shell Vacancies in Hydrated Pyrrole
Kedong Wang, Bohui Wan, Cody L. Covington +1
We employ real-space, real-time time-dependent density functional theory (TDDFT) combined with Ehrenfest dynamics to investigate ultrafast intermolecular relaxation following inner…
physics.chem-ph2025
Quantum-electrodynamical time-dependent density functional theory description of molecules in optical cavities
Yetmgeta Aklilu, Matthew Shepherd, Cody L. Covington +1
A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formali…