Spectroscopic Studies with a Multiconfiguration Dirac-Fock Program
N Beatham; I P Grant; B J McKenzie; S J Rose
Журнал:
Physica Scripta
Дата:
1980-01-01
Аннотация:
A set of programs developed in the department for the study of atomic structure problems is briefly described. Its core is a relativistic multiconfiguration Dirac-Fock self-consistent field program which, in various versions, can handle up to 36 orbitals and 60 configuration state functions (CSF). The system can deal with very general open-shell configurations, the necessary Racah algebra being handled automatically. The full transverse electron pair interaction, correct to O(1/c<sup>2</sup>), can be computed if desired, along with estimates of the lowest order electron self-energy and vacuum polarization corrections.Typical applications to the calculation of X-ray levels and to the interpretation of 5p excited spectra in atomic barium are briefly described.
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