International Workshop on Atomic Interactions in Laser Fields - Abstracts
Martin Jungen
Institut für Physikalische Chemie, Universität Basel, Klingelbergstrasse 80, CH-4056 Basel
I have carried out ab-initio calculations for the electronic states of the Rydberg molecule KAr (excited states of K up to 7s, neff ~ 4.8), as well as for the parent ion KAr+. Some calculated results are collected in the table below (De values with respect to the respective adiabatic dissociation limit).
| State | Re [Å] | De [cm-1] | State | Re [Å] | De [cm-1] | |||
| 4 sσ | repulsive | VdW-Min. | 6 sσ | 3.23 | 480 | barrier | ||
| 4 pσ | repulsive | VdW-Min. | 4 fσ | 3.20 | 584 | barrier | ||
| π | 3.38 | 426 | π | 3.21 | 832 | |||
| 5 sσ | 3.27 | 718 | δ | 3.21 | 936 | |||
| 3 dσ | repulsive | barrier | φ | 3.22 | 832 | |||
| π | 3.42 | 312 | 6 pσ | 3.30 | 555 | |||
| δ | 3.20 | 776 | π | 3.22 | 901 | |||
| 5 pσ | 4.35 | 230 | barrier | 5 dσ | 3.22 | 794 | barrier | |
| π | 3.24 | 864 | π | 3.24 | 884 | |||
| 4 dσ | 3.23 | 813 | barrier | δ | 3.22 | 856 | ||
| π | 3.28 | 767 | 7 sσ | 3.23 | 660 | |||
| δ | 3.21 | 828 | Ion | 3.21 | 896 |
In my talk, after explaining the method used and the problems I met, such as the role of electron correlation and the interaction of the ns- with the (n-2)d-configurations, I shall present and discuss the results in more detail.