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

未来科学技術共同研究センター

研究成果: ジャーナルへの寄稿 › 会議記事 › 査読

抄録

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.

本文言語	英語
ページ（範囲）	2452-2453
ページ数	2
ジャーナル	Synthetic Metals
巻	103
号	1-3
DOI	https://doi.org/10.1016/S0379-6779(98)00735-8
出版ステータス	出版済み - 1999 6月 24
イベント	Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) - Montpellier 継続期間: 1998 7月 12 → 1998 7月 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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DO - 10.1016/S0379-6779(98)00735-8

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IS - 1-3

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

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Zero-point motions in charged C₆₀