Nonadiabatic dynamics studies of the H(2S) + RbH(X1Σ+) reaction: based on new diabatic potential energy surfaces
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra03028d
Abstract: The global diabatic potential energy surfaces (PESs) that correspond to the ground (12A′) and first excited states (22A′) of the RbH2 system PES are constructed based on 17 786 ab initio points. The neural network method… read more here.
Keywords: energy surfaces; reaction; new diabatic; potential energy ... See more keywords