Accurate diatomics-in-molecules calculations on Ar+n clusters
- 1 August 1998
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 94 (6) , 981-987
- https://doi.org/10.1080/002689798167557
Abstract
The diatomics-in-molecules approach has been applied to calculate the most stable structures of singly ionized argon clusters (Ar n +, n =3–27). For the first time, highly accurate diatomic input potentials have been employed in such a calculation. As a consequence we obtain by far the most accurate results for the thermal equilibrium structures of Ar n + at 0K to date.Keywords
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