title: A new general Renner-Teller (including ɛ ≳ 1) spectroscopic formalism for triatomic molecules.
abstract: We present a general approach and its implementation for calculating the rovibronic levels and spectra of rigid or floppy Renner-Teller triatomic molecules, which is not limited in the number and quantum numbers (Λ, S) of electronic states. The case of strong Renner-Teller coupling (ɛ ≳ 1) is specially studied and it is shown that the proposed implementation provides very accurate and stable results for this complicated problem. Few examples (BF(2), HBF, and CCO) illustrate the performance of the code.
authors.affiliation: Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée, France. Alexander.Mitrushchenkov@univ-paris-est.fr
authors.forename: Alexander O
authors.initials: AO
authors.lastname: Mitrushchenkov