The E 1 Σg + state of lithium dimer revised
Abstract
This article describes the use of the inverted perturbation approach method for construction of an accurate potential energy curve of the E 1 Σg + "shelf" state in Li 2 . Contrary to previous reports the applied method provides a potential curve free of unphysical oscillations and reproduces energies of all the levels known from previous experiments. Our results confirm the possibility of describing the E state within the Born-Oppenheimer approximation.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- June 2001
- DOI:
- 10.1063/1.1374927
- Bibcode:
- 2001JChPh.11410725J
- Keywords:
-
- 31.50.-x;
- 31.15.Md;
- Potential energy surfaces;
- Perturbation theory