A new ab initio potential energy curve for the helium dimer.
Autor: | Mourik, Tanja van, Dunning Jr., Thom H. |
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Zdroj: | Journal of Chemical Physics; 11/22/1999, Vol. 111 Issue 20, p9248, 11p |
Abstrakt: | Computes the interaction potential of the helium 2 dimer employing augmented correlation-consistent basis sets. Methods beyond commonly used to recover electron correlation; Reasons why calculations employing the largest basis sets were not feasible for the most sophisticated methods. |
Databáze: | Complementary Index |
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