title: Quantum Electrodynamics Effects in Rovibrational Spectra of Molecular Hydrogen.
abstract: The dissociation energies from all rovibrational levels of H2 and D2 in the ground electronic state are calculated with high accuracy by including relativistic and quantum electrodynamics (QED) effects in the nonadiabatic treatment of the nuclear motion. For D2, the obtained energies have theoretical uncertainties of 0.001 cm(-1). For H2, similar uncertainties are for the lowest levels, while for the higher ones the uncertainty increases to 0.005 cm(-1). Very good agreement with recent high-resolution measurements of the rotational v = 0 levels of H2, including states with large angular momentum J, is achieved. This agreement would not have been possible without accurate evaluation of the relativistic and QED contributions and may be viewed as the first observation of the QED effects, mainly the electron self-energy, in a molecular spectrum. For several electric quadrupole transitions, we still observe certain disagreement with experimental results, which remains to be explained.
authors.affiliation: Faculty of Chemistry, A. Mickiewicz University , Grunwaldzka 6, 60-780 Poznań, Poland.
authors.forename: Jacek
authors.initials: J
authors.lastname: Komasa
authors.affiliation: Faculty of Chemistry, University of Warsaw , Pasteura 1, 02-093 Warsaw, Poland.
authors.forename: Konrad
authors.initials: K
authors.lastname: Piszczatowski
authors.affiliation: Faculty of Chemistry, University of Warsaw , Pasteura 1, 02-093 Warsaw, Poland.
authors.forename: Grzegorz
authors.initials: G
authors.lastname: Łach
authors.affiliation: Faculty of Chemistry, University of Warsaw , Pasteura 1, 02-093 Warsaw, Poland.
authors.forename: Michał
authors.initials: M
authors.lastname: Przybytek
authors.affiliation: Faculty of Chemistry, University of Warsaw , Pasteura 1, 02-093 Warsaw, Poland.
authors.forename: Bogumił
authors.initials: B
authors.lastname: Jeziorski
authors.affiliation: Faculty of Physics, University of Warsaw , Hoża 69, 00-681 Warsaw, Poland.
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Pachucki