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 Title: AB INITIO CALCULATIONS OF COLLISIONAL EFFECTS IN MOLECULAR SPECTRA OF SIMPLE MOLECULES Author(s): Gancewski, Maciej Contributor(s): Wcislo, Piotr ; Thibault, Franck ; Jóźwiak, Hubert Subject(s): Lineshapes, collisional effects Abstract: The simple structure of molecular hydrogen isotopologues provides a great opportunity for testing the \emph{ab initio} quantum scattering theory on the ultra-accurate experimental spectra and analysis of their spectral lines plays a crucial role in studies of atmospheres of gas giants. We present the results of \emph{ab initio} calculations of collisional cross sections and line-shape parameters for the simple benchmark systems of D$_2$ perturbed by He and H$_2$. In our analysis, we use the state-of-the-art statistical model of the collision-perturbed molecular lineshapes and we obtain all the parameters for this model from quantum scattering calculations with use of the highly accurate \emph{ab initio} potential energy surface. Issue Date: 26-Jun-20 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/107455 Date Available in IDEALS: 2020-06-26
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