Magnetic susceptibilities of acetylene and ethylene using frost-model wavefunctions withp-type Gaussians |
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| Authors: | Jonathan A Yoffe |
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| Institution: | (1) Department of Mathematics, University of Nottingham, NG7 2RD University Park, Nottingham, England |
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| Abstract: | There are degeneracy problems involved in the calculation of magnetic susceptibilities from Frost model wavefunctions built up from mixeds- andp-type Gaussians. Various methods are suggested to alleviate the difficulties and they are used to compute the susceptibilities of C2H2 and C2H4. |
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| Keywords: | Magnetic susceptibilities Frost model p-type Gaussians |
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