title: Resonances in photoabsorption: predissociation line shapes in the 3pπD¹Π(u)⁺ ← X¹Σ(g)⁺ system in H₂.
abstract: The predissociation of the 3pπD¹Π(u)⁺, v ≥ 3, N = 2, and N = 3 levels of diatomic hydrogen is calculated by ab initio multichannel quantum defect theory combined with a R-matrix type approach that accounts for interfering predissociation and autoionization. The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. The theory predicts further that many of the D state resonances with v ⩾ 6 exhibit a complex fine structure which cannot be modeled by the Fano profile formula and which has not yet been observed experimentally.
authors.affiliation: Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay, France.
authors.forename: J Zs
authors.initials: JZ
authors.lastname: Mezei
authors.affiliation: Laboratoire Ondes et Milieux Complexes, UMR-6294 CNRS and Université du Havre, 25, rue Philippe Lebon, BP 540, 76058, Le Havre France.
authors.forename: I F
authors.initials: IF
authors.lastname: Schneider
authors.affiliation: Sorbonne Universités, UPMC Univ. Paris 06, UMR 8112, Laboratoire d'Etudes du Rayonnement et de la Matière en Astrophysique et Atmosphères, F-75005 Paris, France.
authors.forename: M
authors.initials: M
authors.lastname: Glass-Maujean
authors.affiliation: Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay, France.
authors.forename: Ch
authors.initials: Ch
authors.lastname: Jungen