Abstract
We report on selfconsistent microscopic calculations of the electronic shell and supershell structure of sodium clusters with up to N ∼ 3000 atoms. The spherical jellium model in local density approximation is used and the Kohn-Sham equations are solved numerically. The finite temperature of the valence electrons is included by treating them as a canonical subsystem embedded in the heat bath of the ions. In particular, we evaluate the total free energy F(N) and investigate its fluctuating part, the shell-correction energy F(N), as a function of temperature T and particle number N. We also discuss the second difference Δ2 F(N) = F(N+1)+ F(N - 1) - 2F(N) and its relation to the recently measured cluster mass abundance spectra.
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References
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© 1992 Springer-Verlag
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Genzken, O., Brack, M. (1992). Selfconsistent calculation of electronic supershells in metal clusters. In: Schmidt, R., Lutz, H.O., Dreizler, R. (eds) Nuclear Physics Concepts in the Study of Atomic Cluster Physics. Lecture Notes in Physics, vol 404. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-55625-7_3
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DOI: https://doi.org/10.1007/3-540-55625-7_3
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