Collisional excitation of CO2 by He : New potential energy surface and scattering calculations - Archive ouverte HAL Accéder directement au contenu
Communication Dans Un Congrès Année : 2021

Collisional excitation of CO2 by He : New potential energy surface and scattering calculations

Résumé

The CO2-He collisional system is of great interest for astrophysical application since it can be found in a large variety of astorphysical media. It is also a good prototype for more complex CO2-bearing collisional system, and therefore, it was well studied during the last decades. However, collisional data appear to be very sensitive to potential energy surfaces, and thus it is of primary importance to provide a PES as accurate as possible. In this talk, I will present our recent study of the astrophysically relevant CO2-He collisional system. A new 2D potential energy surface was calculated with the Coupled Cluster method and a complete basis set extrapolation. Its accuracy was tested through the comparison of bound states and pressure boradening coefficients with experimental data. Revised collisional data were provided in the 10 - 300 K temperature range and were then compared to previous ones, published as part of a CO2 super-rotor study. These new data exhibit the high sensitivity of collisional data to the PES, and can lead to a revision of the CO2 abundance and thus, to the physical conditions in astrophysical media were CO2 is present.
Fichier non déposé

Dates et versions

hal-03725316 , version 1 (16-08-2022)

Identifiants

  • HAL Id : hal-03725316 , version 1

Citer

A Godard Palluet, F Thibault, F Lique. Collisional excitation of CO2 by He : New potential energy surface and scattering calculations. JTMS 2021 : Journées "Théorie, Modélisation et Simulations", Dec 2021, Rennes, France. ⟨hal-03725316⟩
11 Consultations
0 Téléchargements

Partager

Gmail Facebook X LinkedIn More