Comment on: Structures, stabilities, and intermolecular vibrational frequencies of small ammonia complexes by molecular mechanics for clusters analysis
- 1 September 1991
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 95 (5) , 3861-3862
- https://doi.org/10.1063/1.460792
Abstract
We calculate binding energies for the molecular mechanics for clusters (MMC) geometries obtained by Dykstra and Andrews [J. Chem. Phys. 92, 6043 (1990)] for neutral ammonia clusters and compare these energies with those obtained from previous calculations by Sagarik, Ahlrichs, and Brode [Mol. Phys. 57, 1247 (1986)] and Greer, Ahlrichs, and Hertel [Chem. Phys. 133, 191 (1989)]. All geometries are compared energetically near the Hartree–Fock limit; for the dimer, correlation effects are included by means of the coupled pair functional (CPF) method.Keywords
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