11 papers
Strong-Field Coulomb Explosion of Ethane, Propane, and Butane in Circularly Polarized Laser Fields
Yuxuan Hu, Roy Lau, Cody Covington +1
We investigate the Coulomb explosion of ethane (CH), propane (CH), and \textit{n}-butane (CH) driven by intense circularly polarized laser pulses using r…
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…
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…
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…
Time-dependent density-functional study of intermolecular Coulombic decay for 2a ionized water dimer
Kedong Wang, Cody L. Covington, Kalman Varga
A real-space, real-time time-dependent density functional theory (RT-TDDFT) with Ehrenfest dynamics is used to simulate intermolecular Coulombic decay (ICD) processes following the…
Time-dependent density-functional study of hydrogen adsorption and scattering on graphene surfaces
Samuel S. Taylor, Nicholas Skoufis, Hongbo Du +2
Time-dependent density-functional theory simulations are performed to examine the effects of varying incident points and kinetic energies of hydrogen atom projectiles on a graphene…
Quantum effects of Coulomb explosion simulations revealed by time-dependent density-functional theory
Samuel S. Taylor, Cody Covington, Kálmán Varga
This study investigates the influence of quantum effects on Coulomb explosion dynamics using time-dependent density functional theory (TDDFT) simulations, comparing classical, semi…
CH(A) Radical Formation in Coulomb Explosion from Butane Seeded Plasma Generated with Chirp-Controlled Ultrashort Laser Pulses
Karoly Mogyorosi, Balint Toth, Krisztina Sarosi +12
We experimentally studied the formation of CH(A) radicals in butane seeded plasma generated with chirp-controlled ultrashort laser pulses (\(\sim 760 \, μ\text{J}/\text{pulse}\), 8…
Fragmentation in Coulomb explosion of hydrocarbon molecules
Samuel S. Taylor, Kálmán Varga, Károly Mogyorósi +2
Fragmentation dynamics in the Coulomb explosion of hydrocarbons, specifically methane, ethane, propane, and butane, are investigated using time dependent density functional theory…