Modeling spectra of diatomic molecules
Abstract
The paper reports on a general computer program for modeling spectra of diatomic molecules. It can treat both single and multi-channel problems accounting for various operators coupling the electronic states. The program delivers eigenenergies and eigenvectors, wherefrom line frequencies and line intensities can be calculated. The paper discusses the theoretical background of the program, the main numerical procedures and illustrates its ability to solve also inverse spectroscopic problems.
- Publication:
-
10th Jubilee International Conference of the Balkan Physical Union
- Pub Date:
- February 2019
- DOI:
- 10.1063/1.5091174
- Bibcode:
- 2019AIPC.2075e0006H