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cond-mat.soft2007★ 175 cited
Potassium intercalation in graphite: A van der Waals density-functional study
Eleni Ziambaras, Jesper Kleis, Elsebeth Schroder +1
Potassium intercalation in graphite is investigated by first-principles theory. The bonding in the potassium-graphite compound is reasonably well accounted for by traditional semil…
cond-mat.soft2004
van der Waals interaction of parallel polymers and nanotubes
Jesper Kleis, Per Hyldgaard, Elsebeth Schroder
We study the mutual interactions of simple, parallel polymers and nanotubes, and develop a scheme to include the van der Waals interactions in the framework of density functional t…