In:
The Journal of Chemical Physics, AIP Publishing, Vol. 110, No. 20 ( 1999-05-22), p. 9865-9876
Abstract:
Numerical calculations of vibrational levels of alkali dimers close to the dissociation limit are developed in the framework of a Fourier Grid Hamiltonian method. The aim is to interpret photoassociation experiments in cold atom samples. In order to avoid the implementation of very large grids we propose a mapping procedure adapted to the asymptotic R−n behavior of the long-range potentials. On a single electronic potential, this allows us to determine vibrational wave functions extending up to 500a0 using a minimal number of grid points. Calculations with two electronic states, A 1Σu+ and b 3Πu states, both correlated to the Rb(5s)+Rb(5p) dissociation limit, coupled by fine structure are presented. We predict strong perturbation effects in the Rb2(0u+) spectrum, manifested under the 5s, 5p 2P1/2 dissociation limit by an oscillatory behavior of the rotational constants.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
1999
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
