Variational calculations for helium-like ions using generalized Kinoshita-type expansions |
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Authors: | Ajit J Thakkar Toshikatsu Koga |
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Institution: | (1) Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 6E2, Canada, CA;(2) Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050-8585, Japan, JP |
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Abstract: | Variational calculations are reported for the ground states of the helium atom and its isoelectronic ions H−, Li+, …, Ne8+. The calculations use generalized Kinoshita expansions with freely optimized, noninteger powers of the Hylleraas coordinates
s and u. One hundred-term expansions of this type lead to better energies than any other expansions in the literature with comparable
numbers of terms.
Received: 4 September 2002 / Accepted: 14 October 2002 / Published online: 21 January 2003
Correspondence to: T. Koga e-mail: koga@mmm.muroran−it.ac.jp
Acknowledgements. This work was supported in part by the Natural Sciences and Engineering Research Council of Canada, and in part by a Grant-in-Aid
for Scientific Research from the Ministry of Education of Japan. The final 100-term computations with real powers were performed
at the Advanced Computational Research Laboratory of the University of New Brunswick. |
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Keywords: | : Helium-like ions – Generalized Kinoshita-type wave functions |
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