Research in atomic structure: A configuration interaction program with relativistic corrections

It is shown that configuration interaction calculations, with inclusion of the relativistic corrections, constitute an appropriate approach for the prediction of atomic energy levels and that results of experimental accuracy are possible given the availability of large-scale, fast computers. The results obtained for He through F emphasize both the practical difficulties to be encountered and the possibility of predictions with less than 1% error.

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Atomic energy levels from configuration interaction calculations with relativistic corrections

Fraga

San‐Fabián

Sordo

et al. 1989

Int J of Quantum Chemistry

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A configuration interaction program

Fischer

1991

Computer Physics Communications

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Some comments on the δ quality test

Sordo

1991

Journal of Molecular Structure: THEOCHEM

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Research in atomic structure: A configuration interaction program with relativistic corrections

Cited by 7 publications

References 6 publications

Atomic energy levels from configuration interaction calculations with relativistic corrections

Atomic energy levels from configuration interaction calculations with relativistic corrections

A configuration interaction program

Some comments on the δ quality test

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