ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.460792
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