Potential curve of the Li2 ground state for large internuclear distances. A contribution to the understanding of interatomic forces
✍ Scribed by W. Kutzelnigg; M. Gelus
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 733 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Variational calculations based on a special multi-configuration approach are performed for the Li2 ground state in the region between 5 and 30 au. The two-configuration energy E reaches its asymptotic Limit at 17 au. The difference E turns out to be practically egu a?= d2 El2 -E called the Wispersion contribution to the binding energy z ¶ to the Lon on energy EL = -EgR'6 for R 3 10 au. The wave function of the valence pair in its natural expansion form is compared with its asymptotic counterpart (valid for large R). h the region where the London formula holds the structure of the natural expansion is essentially the same as for R -CO, but the coefficients of the natural expansion deviate much more from their asymptotic formula as the energy does. variatioml calculations are performed and any hind of expansion of the interaction energy is avoided.