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MARVEL (@2021)

An algorithm is proposed, based principally on an earlier proposition of Flaud and coworkers [1], that inverts the information contained in uniquely assigned experimental rotational-vibrational transitions in order to obtain measured active rotational-vibrational energy levels (MARVEL). The procedure starts with collecting, critically evaluating, selecting, and compiling all available measured transitions, including assignments and uncertainties, into a single database. Then spectroscopic networks (SN) are determined which contain all interconnecting rotational-vibrational energy levels supported by the grand database of the selected transitions. Inversion of the transitions through a weighted least-squares-type procedure results in MARVEL energy levels and associated uncertainties. Local sensitivity coefficients can be computed for each energy level. The resulting set of MARVEL levels is called active as when new experimental measurements become available the same inversion procedure should be repeated and more dependable energy levels and uncertainties can be obtained. MARVEL is tested on the example of the H217O isotopologue of water and a list of 2 644 dependable energy levels, based on 8 041 transitions, has been obtained.

Annotation from article [2]


  1. J.-M. Flaud, C. Camy-Peyret, J. P. Maillard,
    Higher ro-vibrational levels of H2O deduced from high resolution oxygen-hydrogen flame spectra between 2800-6200 cm-1,
    Molecular Physics, 1976, Volume 32, no. 2, Pages 499-521,
    DOI: 10.1080/00268977600103251.
  2. Tibor Furtenbacher, Attila G. Császár, and Jonathan Tennyson,
    MARVEL: measured active rotational–vibrational energy levels,
    Journal of Molecular Spectroscopy, 2007, Volume 245, Issue 2, Pages 115-125,
    DOI: 10.1016/j.jms.2007.07.005.
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