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Associative ionization in collisions of H plus + H- and H(1s) + H(ns)
Stockholm University, Faculty of Science, Department of Physics.ORCID iD: 0000-0002-4291-2636
Stockholm University, Faculty of Science, Department of Physics.ORCID iD: 0000-0003-4138-4015
Stockholm University, Faculty of Science, Department of Physics.ORCID iD: 0000-0003-2182-7165
Number of Authors: 42023 (English)In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 108, no 5, article id 052811Article in journal (Refereed) Published
Abstract [en]

Associative ionization in collisions of H+ + H- as well as H(1s) + H(ns) with n = 2, 3, 4 is studied theoretically. Relevant adiabatic potential curves and nonadiabatic couplings are calculated ab initio and the autoionization from the lowest electronic resonant states in the 11+g/u and 31+g/u symmetries are considered. The cross sections are obtained by solving the coupled Schrodinger equation, including a complex potential matrix, in a strict diabatic representation. The importance of using a nonlocal description of autoionization is investigated. Associative ionization is also studied for different isotopes of hydrogen. Calculated cross sections are compared with results from measurements.

Place, publisher, year, edition, pages
2023. Vol. 108, no 5, article id 052811
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:su:diva-224664DOI: 10.1103/PhysRevA.108.052811ISI: 001110834300011Scopus ID: 2-s2.0-85177618381OAI: oai:DiVA.org:su-224664DiVA, id: diva2:1821161
Available from: 2023-12-19 Created: 2023-12-19 Last updated: 2024-04-29Bibliographically approved
In thesis
1. A unified model of reactive scattering processes: Application to the H2 reaction complex
Open this publication in new window or tab >>A unified model of reactive scattering processes: Application to the H2 reaction complex
2024 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

In this thesis, reactive scattering processes involving the H2 reaction complex are studied ab initio and fully quantum mechanically. These processes have in common that they involve highly excited electronic states, which could be either bound or resonant. Non-adiabatic couplings, which can be significant both at small and large internuclear distances, need to be included to account for the interaction between the bound electronic states. In addition, the electronic resonant states interact with the ionization continuum at small internuclear distances, which may cause the collision complex to autoionize. In this work, a model is developed which incorporates these different coupling mechanisms. By introducing a quasidiabatic model at small internuclear distances, resonant states and couplings to the ionization continuum are incorporated. The quasidiabatic model is combined with a strict diabatic description, which rigorously incorporates non-adiabatic couplings among the bound electronic states. Nuclear dynamics are solved for using a close-coupling approach in a strict diabatic representation, where a non-local complex potential is included to account for loss into the ionization continuum. With this model, various reactive scattering processes can systematically be studied using the same set of potential energy curves and couplings. The model is applied in studies of H++H- mutual neutralization, H(1s)+H(ns) and H++H- associative ionization as well as dissociative recombination and resonant ion-pair formation in electron collisions with HD+. Cross sections and branching ratios are compared with results from previous experiments and theoretical studies.

Place, publisher, year, edition, pages
Stockholm: Department of Physics, Stockholm University, 2024. p. 76
Keywords
associative ionization, dissociative recombination, mutual neutralization, resonant ion-pair formation, non-adiabatic dynamics
National Category
Atom and Molecular Physics and Optics
Research subject
Theoretical Physics
Identifiers
urn:nbn:se:su:diva-228804 (URN)978-91-8014-823-8 (ISBN)978-91-8014-824-5 (ISBN)
Public defence
2024-08-23, sal FB42, AlbaNova universitetscentrum, Roslagstullsbacken 21, Stockholm, 13:00 (English)
Opponent
Supervisors
Available from: 2024-05-30 Created: 2024-04-29 Last updated: 2024-05-22Bibliographically approved

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Hörnquist, JohanHedvall, PatrikLarson, Åsa

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