Theoretical Advances in Electron Molecular-ion Scattering, Method Benchmarking and Connecting Collisional and Photofragmentation Resonances
Poster
Abstract
Electron scattering off of molecular ions is an important and complicated topic for plasma chemistry studies, especially when talking about plasma neutralization which is dominated by dissociative recombination both in astrochemical (interstellar medium) and plasma reactor (fusion edge plasma) scenarios.
In the past few years we've seen a substantial evolution in the theoretical methodology describing these processes.
We present here mainly the methodological improvements of the energy dependent frame transformation (EDFT) method [1, 2] which can now handle the branching ratios of individual dissociation channels as well as rotational degrees of freedom (neglected in most previous EDFT studies). We show several benchmarks, using a simplified model of Hydrogen and comparing with both more "brute force" solutions [3] and other contemporary frame transformation methods such as the step-wise multichannel quantum defect theory [4].
We also show our latest developments [5] coupling the scattering to photofragmentation and how the resonant features in the cross sections compare between the processes.
[1] H. Gao, C. H. Greene, Phys. Rev. A 42, 6946 (1990).
[2] D. Hvizdoš, R. Čurík, C. H. Greene, Phys. Rev. A 111, 012805 (2025).
[3] R. Čurík, D. Hvizdoš, C. H. Greene, Phys. Rev. A 98, 062706 (2018).
[4] O. Motapon, N. Pop, F. Argoubi, J. Zs Mezei, M. D. Epee Epee, A. Faure, M. Telmini, J. Tennyson, and I. F. Schneider, Phys. Rev. A 90, 012706 (2014).
[5] D. Hvizdoš, R. Čurík, C. H. Greene, Mol. Phys., soon to be published.
In the past few years we've seen a substantial evolution in the theoretical methodology describing these processes.
We present here mainly the methodological improvements of the energy dependent frame transformation (EDFT) method [1, 2] which can now handle the branching ratios of individual dissociation channels as well as rotational degrees of freedom (neglected in most previous EDFT studies). We show several benchmarks, using a simplified model of Hydrogen and comparing with both more "brute force" solutions [3] and other contemporary frame transformation methods such as the step-wise multichannel quantum defect theory [4].
We also show our latest developments [5] coupling the scattering to photofragmentation and how the resonant features in the cross sections compare between the processes.
[1] H. Gao, C. H. Greene, Phys. Rev. A 42, 6946 (1990).
[2] D. Hvizdoš, R. Čurík, C. H. Greene, Phys. Rev. A 111, 012805 (2025).
[3] R. Čurík, D. Hvizdoš, C. H. Greene, Phys. Rev. A 98, 062706 (2018).
[4] O. Motapon, N. Pop, F. Argoubi, J. Zs Mezei, M. D. Epee Epee, A. Faure, M. Telmini, J. Tennyson, and I. F. Schneider, Phys. Rev. A 90, 012706 (2014).
[5] D. Hvizdoš, R. Čurík, C. H. Greene, Mol. Phys., soon to be published.
–
· 24Publication: Manuscript submitted to (currently under review) Molecular Physics titled "Connecting Collisional and Photofragmentation Resonances in the H2 Ungerade Symmetry" (subject to change)
Presenters
-
David Hvizdos
- University of Le Havre Normandy