10.35099/AURORA-31
Velasco, A.M.
Lavin, C.
Martin, I.
Melin, J.
Ortiz, J.V.
Partial photoionization cross sections of and Rydberg radicals
AIP Publishing
2021
Auburn University
Auburn University
J.V. Ortiz, jvo0001@auburn.edu
2021-01-26
2021-01-26
2009
Journal Article, Academic Journal
https://aip.scitation.org/doi/pdf/10.1063/1.3168397
https://aurora.auburn.edu/handle/11200/49957
PDF
© 2009. This is the version of record published by AIP Publishing and is made available under the CC-BY-NC-ND 4.0 license. Item should be cited as: J. Chem. Phys. 131, 024104 (2009); https://doi.org/10.1063/1.3168397 Submitted: 03 April 2009 . Accepted: 12 June 2009 . Published Online: 08 July 2009 :Partial photoionization cross sections of and Rydberg radicals :A. M. Velasco, C. Lavín, I. Martín, J. Melin, and J. V. Ortiz
ammonium and oxonium Rydberg radicals from the outermost, occupied orbitals of their respective ground states are reported. These properties are known to be relevant in photoelectron dynamics studies. For the present calculations, the molecular-adapted quantum defect orbital method has been employed. A Cooper minimum has been found in the 3sa1-kpt2 Rydberg channel of NH4 beyond the ionization threshold, which provides the main contribution to the photoionization of this radical. However, no net minimum is found in the partial cross section of H3O despite the presence of minima in the 3sa1-kpe and 3sa1-kpa1 Rydberg channels. The complete oscillator strength distributions spanning the discrete and continuous regions of both radicals exhibit the expected continuity across the ionization threshold.