Zero-point motions in charged C60

X. D. Wang, R. T. Fu, X. Sun, Y. Kawazoe

Research output: Contribution to journalConference articlepeer-review


A generalized tight-binding molecular-dynamics (GTBMD) scheme is applied to adjust the phonon-density spectrum and the harmonic vibrational spectrum observed in charged C60. This approach involves the inclusion of directional covalent bonding through the underlying electronic structure described by a generalized tight-binding Hamiltonian. The scheme allows the quantum mechanical nature of the covalent bonding to enter the potential in a natural way.

Original languageEnglish
Pages (from-to)2452-2453
Number of pages2
JournalSynthetic Metals
Issue number1-3
Publication statusPublished - 1999 Jun 24
EventProceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) - Montpellier
Duration: 1998 Jul 121998 Jul 18


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