Ab-Initio Molecular Dynamics Simulation of C60

Kamiyama, H.; Ohno, K.; Maruyama, Y.; Kawazoe, Y.

doi:10.1007/978-94-017-2645-0_185

H. Kamiyama²,
K. Ohno²,
Y. Maruyama² &
…
Y. Kawazoe²

Part of the book series: NATO ASI Series ((ASIC,volume 374))

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Abstract

The electronic structures and atomic dynamics in the ground state of C₆₀ are simulated with full potentials by means of ab-initio molecular dynamics using the mixed bases which consist of both plane waves and is atomic orbitals for electron wave functions.

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References

J. H. Weaver, J. L. Martins, T. Komeda, Y. Chen, T. R. Ohno, G. H. Kroll, N. Troullier, R. E. Haulier, and R. E. Smalley, Phys. Rev. Lett. 66 (1991) 1741.
Article CAS Google Scholar
Y. Kajii, T. Nakagawa, S. Suzuki, Y. Achiba, K. Obi, and K. Shibuya, Chem. Phys. Lett., in press.
Google Scholar
S. Saito and A. Oshiyama, Phys. Rev. Lett. 66 (1991) 2637.
Article CAS Google Scholar
Q. M. Zhang, J. Y. Yi, and J. Bernhole, Phys. Rev. Lett. 66 (1991) 2633.
Article CAS Google Scholar
B. P. Feuston, W. Andreoni, M. Parrinello, and E. Clementi, Phys. Rev. B44 (1991) 4056.
Article CAS Google Scholar
R. Car and M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471.
Article Google Scholar
K. Kawazoe, H. Kamiyama, Y. Maruyama, and K. Ohno, to be published.
Google Scholar
S. G. Louie, K. M. Ho, and M. L. Cohen, Phys. Rev B19 (1979) 1774.
Google Scholar
M. C. Payne, M. Needels, and J. D. Joannopoulos, Phys. Rev. B37 (1988) 8138.
Article Google Scholar
M. J. Rosseinsky, A. P. Ramirez, S. H. Glarum, D. W. Murphy, R. C. Haddon, A. F. Hebard, T. T. M. Palstra, A. R. Kortan, S. M. Zahurak, and A. V. Makhija, Phys. Rev. Lett. 66 (1991) 2830.
Article CAS Google Scholar
R. C. Haddon, A. F. Hebard, M. J. Rosseinsky, D. W. Murphy, S. J. Duclos, K. B. Lyons, B. Miller, J. M. Rosamilia, R. M. Fleming, A. R. Kortan, S. H. Glarum, A. V. Makhija, A. J. Muller, R. H. Eick, S. M. Zahurak, R. Tycko, G. Dabbagh, and F. A. Thiel, Nature (London) 350 (1991) 321.
Google Scholar

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Authors and Affiliations

Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980, Japan
H. Kamiyama, K. Ohno, Y. Maruyama & Y. Kawazoe

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H. Kamiyama
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K. Ohno
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Y. Maruyama
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Y. Kawazoe
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Department of Physics, Virginia Commonwealth University, Richmond, VA, USA
P. Jena , S. N. Khanna & B. K. Rao , &

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Kamiyama, H., Ohno, K., Maruyama, Y., Kawazoe, Y. (1992). Ab-Initio Molecular Dynamics Simulation of C₆₀ . In: Jena, P., Khanna, S.N., Rao, B.K. (eds) Physics and Chemistry of Finite Systems: From Clusters to Crystals. NATO ASI Series, vol 374. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-2645-0_185

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DOI: https://doi.org/10.1007/978-94-017-2645-0_185
Publisher Name: Springer, Dordrecht
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Online ISBN: 978-94-017-2645-0
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