44 citations · 112 across the 9 of their papers we have counts for
4 papers · 1 filter
Notes on ab initio investigation of the CrH molecule and its interaction with He
Jacek Kłos, Michał Hapka, Grzegorz Chałasiński
Potential and dipole moment curves for the CrH(X) molecule were obtained at the internally-contracted multi-reference configuration interaction with single and double excita…
Ro-vibrational relaxation of HCN in collisions with He: Rigid bender treatment of the bending-rotation interaction
Thierry Stoecklin, Otoniel Denis-Alpizar, Philippe Halvick +1
We present a new theoretical method to treat atom-rigid bender inelastic collisions at the Close Coupling level (RBCC) in the space fixed frame. The coupling between rotation and b…
A four-dimensional potential energy surface for the He - HCN complex
Otoniel Denis-Alpizar, Thierry Stoecklin, Philippe Halvick +1
A four-dimensional potential energy surface for the interaction between He and HCN with vibrational bending is presented. Ab initio calculations were carried out at the coupled-clu…
New theoretical method for calculating the radiative association cross section of a triatomic molecule: Application to N2-H-
T. Stoecklin, F. Lique, M. Hochlaf
We present a new theoretical method to treat the atom diatom radiative association within a time independent approach. This method is an adaptation of the driven equations method d…