Cohesive properties of mercury clusters in the ground and excited
states |
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Authors: | H Kitamura |
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Institution: | (1) Department of Physics, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan |
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Abstract: | Optimized structures and cohesive energies of small
mercury clusters (HgN; N = 3–7, 13, 19) are calculated with the
spin-orbit diatomics-in-molecules method. The theory takes into account the
effect of s-p mixing which tends to enhance the binding energies in the
ground state. It is shown that excimer clusters have significantly short
optimum bond lengths and their atomic geometries differ considerably from
those in the ground state. Excitation energy gap depends sensitively on both
cluster size and nearest-neighbor separation. Numerical results are compared
with other theories and experiments. |
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Keywords: | 36 40 Mr Spectroscopy and geometrical structure of clusters 36 40 -c Atomic and molecular clusters |
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