After some introductory comments relating to antiferromagnetism of crystalline O_2, 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 O_n 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.
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 Møller-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
The nuclear structure and related properties of some low-lying isomers of free-space O_n clusters (n=6, 8, 12)
FORTE, GIUSEPPE;ANGILELLA, Giuseppe Gioacchino Neil;
2013-01-01
Abstract
After some introductory comments relating to antiferromagnetism of crystalline O_2, 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 O_n 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.| File | Dimensione | Formato | |
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