Observable quasi-bound states of the H2 molecule

Characteristic parameters (energetic positions, widths, etc.) of the 23 spectroscopically observed (or potentially observable) quasi-bound energy levels for the ground state H(2) molecule are determined with high accuracy. The recent advances concerning nonadiabatic, relativistic, and quantum electr...

Full description

Saved in:
Bibliographic Details
Published in:The Journal of chemical physics 2012-03, Vol.136 (11), p.114113-114113
Main Author: Selg, Matti
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Characteristic parameters (energetic positions, widths, etc.) of the 23 spectroscopically observed (or potentially observable) quasi-bound energy levels for the ground state H(2) molecule are determined with high accuracy. The recent advances concerning nonadiabatic, relativistic, and quantum electrodynamical corrections have been taken into consideration. Theoretical approach is based on the careful investigation of the energy dependences of the real stationary scattering-state wave functions (their phase shifts and amplitudes). These energy dependences can be very accurately fitted to simple analytic formulas resulting from the quantum scattering theory. General criteria for the assignment of quasi-bound states are discussed and a new criterion is proposed, which excludes too broad and ambiguous resonances. To implement the proposed approach, a special high-precision computational method was used, which is described in full detail.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3692968