The nuclear structure and related properties of some low-lying isomers of free-space On clusters (n=6, 8, 12)
Abstract
After some introductory comments relating to antiferromagnetism of crystalline O2, and brief remarks on the geometry of ozone, Hartree-Fock (HF) theory plus second-order Moller-Plesset (MP2) corrections are used to predict the nuclear structure of low-lying isomers of free-space On clusters, for n=6, 8, and 12. The equilibrium nuclear-nuclear potential energy is also discussed in relation to the number n of oxygen atoms in the cluster.
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