Publication
Physical Review B
Paper

Zero-point-motion effects on the structure of C60

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Abstract

The Car-Parrinello method and a new analysis procedure are used to determine the full vibrational spectrum of C60. We evaluate the quantum effects on the structural properties of C60 within the harmonic approximation. We find excellent agreement with the experimental pair correlation function. Zero-point-motion effects appear to be rather large. © 1992 The American Physical Society.

Date

15 Aug 1992

Publication

Physical Review B

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