The electronic structures of HCP and FCP: A comparison of the results of SCF calculations with several different basis sets,and the inclusion of electron correlation |
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| Authors: | Colin Thomson Peter Ellam |
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| Institution: | (1) Department of Chemistry, University of St. Andrews, KY16 9ST St. Andrews, Scotland |
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| Abstract: | Ab initio calculations using a variety of basis sets and including electron correlation via the MP3 method are reported for HCP and FCP and their positive ions. Comparisons are made with the available experimental data.N.F.C.R Postgraduate Student. |
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| Keywords: | HCP FCP Basis sets Correlation |
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