A new general methodology for deriving effective Hamiltonians for atoms and molecules. Application to the transferability of atomic potentials in the hydrocarbon series.
| Autor: | Nicolas, G., Durand, Ph. |
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| Zdroj: | Journal of Chemical Physics; Jan1980, Vol. 72 Issue 1, p453-463, 11p |
| Databáze: | Complementary Index |
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