From the 1 of 9 linked papers with an AI index.
9 papers
Strong-Field Coulomb Explosion of Ethane, Propane, and Butane in Circularly Polarized Laser Fields
Yuxuan Hu, Roy Lau, Cody Covington +1
The paper studies how intense circularly polarized laser pulses cause Coulomb explosion and fragmentation of small alkanes (ethane, propane, and n‑butane) using real‑time time‑depe…
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…
Ab initio study of highly charged ion-induced Coulomb explosion imaging
Misa Viveiros, Samuel S. Taylor, Cody Covington +1
We present a theoretical investigation of ion-induced Coulomb explosion imaging (CEI) of pyridazine molecules driven by energetic C projectiles, using time-dependent density…
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…
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…
Low-energy proton impact dynamics on hydrocarbons: Dependence on kinetic energy and incident site
Misa Viveiros, Roy Lau, Samuel S. Taylor +4
The dynamics of low-energy proton collisions with hydrocarbon with hydrocarbon molecules are investigated using real-time time-dependent density functional theory. Through systemat…