Rotational relaxation of H2S by collision with He

Denis-Alpizar O.; Stoecklin T.

dc.contributor.author	Denis-Alpizar O.
dc.contributor.author	Stoecklin T.
dc.date.accessioned	2020-09-02T22:16:16Z
dc.date.available	2020-09-02T22:16:16Z
dc.date.issued	2020
dc.identifier	10.1051/0004-6361/202037821
dc.identifier.citation	638, , -
dc.identifier.issn	00046361
dc.identifier.uri	https://hdl.handle.net/20.500.12728/4261
dc.description	Context. The H2S molecule has been detected in several regions of the interstellar medium (ISM). The use of non-LTE models requires knowledge of accurate collisional rate coefficients of the molecules detected with the most common collider in the ISM. Aims. The main goal of this work is to study the collision of H2S with He. Methods. A grid of ab initio energies was computed at the coupled cluster level of theory including single, double, and perturbative triple excitations (CCSD(T)) and using the augmented correlation consistent polarized quadruple zeta (aug-cc-pVQZ) basis set supplemented by a set of mid-bond functions. These energies were fitted to an analytical function, which was employed to study the dynamics of the system. Close coupling calculations were performed to study the collision of H2S with He. Results. The rate coefficients determined from the close coupling calculation were compared with those of the collision with H2O+He, and large differences were found. Finally, the rate coefficients for the lower rotational de-excitation of H2S by collision with He are reported. © 2020 ESO.
dc.language.iso	en
dc.publisher	EDP Sciences
dc.subject	Astrochemistry
dc.subject	ISM: molecules
dc.subject	Molecular data
dc.subject	Molecular processes
dc.subject	Scattering
dc.subject	Molecules
dc.subject	Numerical methods
dc.subject	Analytical functions
dc.subject	Close coupling calculation
dc.subject	Collisional rates
dc.subject	Coupled clusters
dc.subject	Interstellar mediums
dc.subject	Perturbative triple excitations
dc.subject	Rate coefficients
dc.subject	Rotational relaxations
dc.subject	Calculations
dc.title	Rotational relaxation of H2S by collision with He
dc.type	Article