A new ab initio potential energy curve for the helium dimer.

Autor: Mourik, Tanja van, Dunning Jr., Thom H.
Předmět:
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