Rovibrational line-shape parameters for H2 in He and new H2-He potential energy surface

We report a new H-2-He potential energy surface that, with respect to the previous one [Bakr et al.(2013)j, covers much larger range of H-2 stretching and exhibits more accurate asymptotic behavior for large separations between H-2 and He. Close-coupling calculations performed on this improved potential energy surface allow us to provide line shape parameters for H2 between 5 and 2000 K for Raman isotropic Q lines and anisotropic Q lines (or electric quadrupole lines) and for vibrational bands from the ground up to nu = 5 and rotational quantum numbers up to j = 5. The parameters provided include the usual pressure -broadening and-shifting coefficients as well as the real and imaginary part of Dicke contribution to the Hess profile. The latter parameters can be readily implemented in other line-shape profiles like the most recent one of Hartmann and Tran. (C) 2017 Elsevier Ltd. All rights reserved.