Journal article
Full-dimensional quantum dynamics of SO(X 3 Σ - ) in collision with H2
Abstract
A six-dimensional (6D) potential energy surface (PES) for the SO(X -HSO(X 3 Σ - )-H2 system is computed using high-level electronic structure theory and fit using a hybrid invariant polynomial method. Full-dimensional quantum close-coupling scattering calculations have been carried out using this potential for rotational and, for the first time, vibrational quenching transitions of SO induced by H2. State-to-state cross sections and rate …
Authors
Yang B; Zhang P; Qu C; Stancil PC; Bowman JM; Balakrishnan N; Forrey RC
Journal
Chemical Physics, Vol. 532, ,
Publisher
Elsevier
Publication Date
4 2020
DOI
10.1016/j.chemphys.2020.110695
ISSN
0301-0104