pith. sign in

arxiv: 1703.10629 · v1 · pith:TQ2TETYXnew · submitted 2017-03-30 · ⚛️ physics.chem-ph

Electronic structure and time-dependent description of rotational predissociation of LiH

classification ⚛️ physics.chem-ph
keywords beencalculatedpredissociationrotationalstatestatestime-dependentadiabatic
0
0 comments X
read the original abstract

Adiabatic potential energy curves of the $^1\Sigma^+$ and $^1\Pi$ states of the LiH molecule have been calculated. They correlate asymptotically to atomic states, like 2s+1s, 2p+1s, 3s+1s, 3p+1s, 3d+1s, 4s+1s, 4p+1s and 4d+1s. Very good agreement is found between our calculated spectroscopic parameters and experimental ones. The dynamics of the rotational predissociation process of the $1^1\Pi$ state has been studied by solving the time-dependent Schr\"{o}dinger equation. The classical experiment of Velasco [Can. J. Phys. {35}, 1204 (1957)] on dissociation in the $1^1\Pi$ state is explained in detail.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.