Abstract
The multiconfiguration Dirac-Fock program grasp has been modified for large-scale, relativistic correlation studies requiring wave-function expansions with several thousand configuration state functions. As a test case, the program was used to study the effects of relativistic correlation on the levels of . Our results are in reasonable agreement with experimental data, the lower H and F levels being in good agreement. The previously controversial term is confirmed by theory for the first time.
- Received 13 September 1991
DOI:https://doi.org/10.1103/PhysRevLett.68.297
©1992 American Physical Society