Zero-point motions in charged C60

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

doi:10.1016/S0379-6779(98)00735-8

Zero-point motions in charged C₆₀

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

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Conference article › peer-review

Abstract

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 language	English
Pages (from-to)	2452-2453
Number of pages	2
Journal	Synthetic Metals
Volume	103
Issue number	1-3
DOIs	https://doi.org/10.1016/S0379-6779(98)00735-8
Publication status	Published - 1999 Jun 24
Event	Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) - Montpellier Duration: 1998 Jul 12 → 1998 Jul 18

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10.1016/S0379-6779(98)00735-8

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abstract = "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.",

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AU - Wang, X. D.

AU - Fu, R. T.

AU - Sun, X.

AU - Kawazoe, Y.

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Y1 - 1999/6/24

N2 - 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.

AB - 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.

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SP - 2452

EP - 2453

JO - Synthetic Metals

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T2 - Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98)

Y2 - 12 July 1998 through 18 July 1998

ER -

Zero-point motions in charged C₆₀

Abstract

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