Molecular graphs of Li$_n$ clusters (n=2-6) from the density and the molecular electrostatic potential
作者： Patrizia Calaminici , Victor Daniel Dominguez-Soria , Gerald Geudtner , Andreas M. Köster
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摘要: The molecular graphs of the density and electrostatic potential small lithium clusters up to hexamer are presented. For underlying topological analysis all-electron calculations were performed within framework Kohn-Sham functional theory. employed local level Ground state structures for A vibrational was in order characterize these clusters. Structural parameters, harmonic frequencies as well reported. differences topology electronic density, corresponding studied discussed.
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