Fluctuations and bonding in lithium clusters

Roger Rousseau, Dominik Marx

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

Structures and bonding of the Li8 and Li20 clusters are investigated with path integral simulations combined with electronic structure calculations. The zero-point motion of the nuclei leads to quantum fluctuations corresponding to about 100 K thermal excitations. This destroys the distinction between long and short bonds which is a characteristic feature of the optimized static structures, but does not induce a qualitative change in the cluster structures or their electronic properties.

Original languageEnglish
Pages (from-to)2574-2577
Number of pages4
JournalPhysical review letters
Volume80
Issue number12
DOIs
Publication statusPublished - Jan 1 1998

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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