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
Publication statusPublished - 1998

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lithium
electronic structure
nuclei
electronics
excitation
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Fluctuations and bonding in lithium clusters. / Rousseau, Roger; Marx, Dominik.

In: Physical Review Letters, Vol. 80, No. 12, 1998, p. 2574-2577.

Research output: Contribution to journalArticle

Rousseau, R & Marx, D 1998, 'Fluctuations and bonding in lithium clusters', Physical Review Letters, vol. 80, no. 12, pp. 2574-2577.
Rousseau, Roger ; Marx, Dominik. / Fluctuations and bonding in lithium clusters. In: Physical Review Letters. 1998 ; Vol. 80, No. 12. pp. 2574-2577.
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