Extended basis NDDO calculations on diatomic molecules |
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| Authors: | John Tyler Gleghorn Frederick William McConkey |
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| Institution: | (1) Department of Chemistry, University of Lancaster, LA1 4YA Lancaster, Bailrigg, UK |
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| Abstract: | The ab initio NDDO method as described by Roby has been investigated for a range of diatomic species, using symmetric orthonormalization and various basis set sizes. No limiting behaviour is observed with basis set extension. |
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| Keywords: | Neglect of differential overlap |
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