Li5 as a pseudorotating planar cluster
Ryoichi Kawai, Joseph F. Tombrello, John H. Weare
Abstract
A pseudorotating state of Li5 observed in a recent EPR experiment is investigated using the local density functional method. The calculated isotropic spin population indicates that a planar C2v structure is more consistent with the experimental result than a suggested trigonal bipyramid. A new pseudorotating state based on the planar structure is proposed.
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