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Evaluation and Comparison of the Configuration Interaction Calculations for Complex Atoms

National Institute of Standards and Technology, Gaithersburg, MD 20899, USA
Atoms 2014, 2(1), 1-14; https://doi.org/10.3390/atoms2010001
Received: 24 January 2014 / Revised: 10 March 2014 / Accepted: 12 March 2014 / Published: 19 March 2014
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. Agreement between the results from different codes in itself is not a check on accuracy, but may be due to a similarity in the computational procedures. 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 4s24p44d (even) levels in W39+ and the transitions between them. View Full-Text
Keywords: configuration interaction; correlation; variational methods configuration interaction; correlation; variational methods
MDPI and ACS Style

Fischer, C.F. Evaluation and Comparison of the Configuration Interaction Calculations for Complex Atoms. Atoms 2014, 2, 1-14. https://doi.org/10.3390/atoms2010001

AMA Style

Fischer CF. Evaluation and Comparison of the Configuration Interaction Calculations for Complex Atoms. Atoms. 2014; 2(1):1-14. https://doi.org/10.3390/atoms2010001

Chicago/Turabian Style

Fischer, Charlotte Froese. 2014. "Evaluation and Comparison of the Configuration Interaction Calculations for Complex Atoms" Atoms 2, no. 1: 1-14. https://doi.org/10.3390/atoms2010001

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