Fischer, C.
(2017),
Evaluation and comparison of configuration interaction calculations for complex atoms, Atoms, [online], https://doi.org/10.3390/atoms2010001, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=915358
(Accessed December 21, 2025)
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Evaluation and comparison of configuration interaction calculations for complex atoms
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Abstract
Configuration interaction (CI) methods are the method of choice for the determination of wave functions for complex atomic systems from which a variety of atomic properties may be computed. When applied to highly ionized atoms where few, if any, energy levels from observed wavelengths are available, the question arises as to how a calculation may be evaluated. Many different codes are available for such calculations. Is agreement between the results from different codes in itself a check on accuracy? This paper reviews basic theory which, when applied in a systematic manner, can be the basis for the evaluation of accuracy. Results will be illustrated in the study of 4s24p5 (odd) and 4s4p6, 4s24p44d (even) levels in W39+ and transitions between them.Citation
Atoms
Volume
2014
Pub Type
Journals
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Keywords
configuration interaction, correlation, variational methods
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Created November 3, 2017, Updated September 29, 2025