2 papers
physics.chem-ph2025
Effective Core Potentials for calculations of continuum spectra of molecules using the molecular R-matrix method
Zdenek Masin, Jakub Benda, Martin Crhan +4
Implementation of Effective Core Potentials (ECPs) into the molecular scattering suite UKRmol+ is presented together with a set of calculations for a range of targets relevant for…
physics.chem-ph2024
Dissociation of hydrofluorocarbon molecules after electron impact in plasma
Dmitry V. Makhov, Gregory Armstrong, Hsiao-Han Chuang +6
The process of dissociation for two hydrofluorocarbon molecules in low triplet states excited by electron impact in plasma is investigated by ab initio Molecular Dynamics (AIMD). T…