One-Center-Expansion—Configuration-Interaction Studies on CH4 and NH3
One-center-expansion—configuration-interaction calculations have been extended to include higher-order spherical harmonics and extra radial factors. Calculations have also been made to study the prediction of nuclear geometry. Computations on CH4 using as a basis set the orthonormalized Slater atomi...
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| Veröffentlicht in: | The Journal of chemical physics 1966-02, Vol.44 (3), p.977-985 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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