A tight-binding potential for helium in carbon systems

Rebecca Granot*, Roi Baer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


The presence of helium in carbon systems, such as diamonds and fullerenes is of interest for planetary sciences, geophysics, astrophysics, and evolution biology. Such systems typically involve a large number of atoms and require a fast method for assessing the interaction potential and forces. We developed a tight-binding approach, based on density functional calculations, which includes a many-body potential term. This latter term is essential for consolidating the density functional results of helium in bulky diamond and Helium passing through a benzene ring which is important for helium-fullerene applications. The method is simple to apply and exhibits good transferability properties.

Original languageAmerican English
Article number214102
JournalJournal of Chemical Physics
Issue number21
StatePublished - 2008

Bibliographical note

Funding Information:
We gratefully acknowledge support by the U.S.-Israel Binational Science Foundation (BSF).


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