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physics.chem-ph2025
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…
physics.chem-ph2024
Description of the hydrogen atom and the He+ ion in an optical cavity using the Pauli-Fierz Hamiltonian
Yetmgeta Aklilu, Kálmán Varga
A system of one electron in a Coulomb potential in an optical cavity is solved using a tensor-product light-matter basis. The problem was treated at the level of the Pauli-Fierz Ha…