Experts has a new look! Let us know what you think of the updates.

Provide feedback
Home
Scholarly Works
Full-dimensional quantum dynamics of SO(X 3 Σ - )...
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