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Multiconfiguration self-consistent wavefunctions for CH4, C2H4 and C2H6 |
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| Authors: | B. Levy |
| Affiliation: | Laboratoire de Chemie ENSJF, (92) Montrouge, France |
| Abstract: | The results of several MC SCF calculations on CH4, C2H4 and C2H6 with minimun bases of Slater type AO's are reported. The computing method is a quadratically convergent process. Better final energies are obtained if localized MO's are used. |
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