Atoms 2014, 2(1), 1-14; doi:10.3390/atoms2010001
Article

Evaluation and Comparison of the Configuration Interaction Calculations for Complex Atoms

Received: 24 January 2014; in revised form: 10 March 2014 / Accepted: 12 March 2014 / Published: 19 March 2014
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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. 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.
Keywords: configuration interaction; correlation; variational methods
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MDPI and ACS Style

Fischer, C.F. Evaluation and Comparison of the Configuration Interaction Calculations for Complex Atoms. Atoms 2014, 2, 1-14.

AMA Style

Fischer CF. Evaluation and Comparison of the Configuration Interaction Calculations for Complex Atoms. Atoms. 2014; 2(1):1-14.

Chicago/Turabian Style

Fischer, Charlotte F. 2014. "Evaluation and Comparison of the Configuration Interaction Calculations for Complex Atoms." Atoms 2, no. 1: 1-14.

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