Theoretical Studies of the Lifetime of Metastable H3
Abstract
In this report, the major steps toward the ab initio determination of the lifetime (via both the radiation and the predissociation decay mechanisms) for the H3 metastable states have been identified and analyzed. Some results on the ab initio calculation of the lowest four electronic potential energy surfaces of the H3 system are presented, as well as the electric transition dipole moments between them. The ro-vibrational eigenstates of H3 (for total angular momentum J=0 and J=1) on the upper sheet of the Double Many Body Expansion (DMBE) surfaces have been calculated. A new hypershperical coordinate propagation method has been developed and applied to the similar calculation of the ro-vibrational motion of H3 with inclusion of the nuclear permutation symmetry and the Molecular Aharonov-Bohm (MAB) effect (or Berry's geometric phase). This effect has a profound influence on both the bound and scattering states of this system.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 01, 1990
- Accession Number
- ADA230512
Entities
People
- Aron Kuppermann
Organizations
- California Institute of Technology