Long-range van der Waals interaction between nanoclusters

ORAL

Abstract

van der Waals (vdW) interaction is an important long-range correlation that affects many properties of materials. However, this effect cannot be accurately accounted for by first-principles calculations, due to computational challenges. Recently, we have developed a model for the vdW coefficients between quasispherical clusters such as fullerenes, sodium and silicon clusters. Our study shows that the widely-used atom-pairwise interaction picture surprisingly breaks down. A quick remedy of this problem leads to a counterintuitive scaling law of the vdW coefficients for caged molecules and clusters.

*This work was supported by two NSF grants: NSF Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents, and Grant No. DMR-0854769.

Authors

  • Jianmin Tao

    • Tulane University
  • John Perdew

    • Tulane University
  • Adrienn Ruzsinszky

    • Tulane University