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Molecular integrals in the approximate calculation of electronic structure |
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| Authors: | David B Cook |
| Institution: | (1) Department of Chemistry, The University of Sheffield, S3 7HF Sheffield, UK |
| Abstract: | A self-consistent set of new proposals is made for the calculation of the largest molecular integrals over orthogonal hybrid orbitals used in  neglect of differential overlap schemes. |
| Keywords: | Neglect of differential overlap |
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