Mark Needels

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Superconductivity observed in alkali-intercalated, solid C 60 can be explained on the basis of conventional Bardeen-Cooper-Schrieffer theory. Intramolecular Jahn-Teller-type vibrations with high frequencies couple to conduction electrons in C 60 7T" orbitals with strength V. The density of these states (N) is determined by the relatively weak intermolecular(More)
We apply volumetric rendering to the interpretation of atomic-scale data generated from quantum molecular dynamics computations. In particular, we examine silicon computations, and we discover that volumetric visualization of the computed 3D electronic charge density is a valuable tool for identifying defect states in silicon lattices in which oxygen atoms(More)
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