Abstract
In this paper we propose a new analytical model for diffusion in a condensed system that describes the process in terms of the dynamics of the system on the potential energy surface (PES). Theoretical predictions are compared with the results of molecular dynamics (MD) simulations for the Lennard—Jones (LJ) clusters and show good agreement with them.
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R. Czerminskii, R. Elber; J. Chem. Phys. 92, 5580 (1990)
R.S. Berry, R. Breitengraser-Kunz: Phys. Rev. Lett. 74, 3951 (1995)
K.D. Ball et al.: Science 271, 963 (1996)
J.C. Schön: Ber. Bunsenges. Phys. Chem. 100, 1388 (1996)
J.P.K. Doye, D.J. Wales: J. Chem. Phys, 105, 8428 (1996)
O.M. Becker, M. Karplus:.1. Chem. Phys. 106, 1495 (1997)
A. Heuer: Phys. Rev. Lett. 78, 4051 (1997)
A.F. Voter: Phys, Rev. Lett. 78, 3908 (1997)
N. Mousseau, G.T. Barkenia: Phys. Rev. E 57, 2419 (1998)
C.A. Croxton: Liquid State Physics - A Statistical Mechanics Introduction ( Cambridge University Press, Cambridge 1974 )
R. Zwanzig: J. Chem. Phys. 79, 4507 (1983)
J. Jellinek, T.L. Beck, R.S. Berry: J. Chem. Phys. 84, 2783 (1986)
J.E. Adams, R.M. Stratt: J, Chem. Phys. 93, 1332 (1990)
T.L. Beck, T.L. Marchioro: J. Chem. Phys. 93, 1347 (1990)
D. Frenkel, G.H. Wegdam, J. van der Eisken: J. Chem. Phys. 57, 2691 (1972); we are grateful to an anonymous referee for drawing our attention to this paper
S.F. Chekmarev, S.V. Envoy: Chem, Phys. Lett. 287, 719 (1998)
J. Uppenbrink, D.J. Wales: J. Chem, Soc. Faraday Trans, 87, 215 (1991)
F.C. Amax, R.S. Berry: J. Chem. Phys, 85, 5943 (1986)
C. Seko, K. Takatsuka: J. Chem. Phys. 104, 8613 (1996)
M.A. Miller, D.J. Wales: J. Chem. Phys. 107, 8568 (1997)
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© 1999 Springer-Verlag Italia
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Krivov, S.V., Chekmarev, S.F. (1999). Self-diffusion in clusters. In: Châtelain, A., Bonard, JM. (eds) The European Physical Journal D. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-88188-6_40
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DOI: https://doi.org/10.1007/978-3-642-88188-6_40
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-88190-9
Online ISBN: 978-3-642-88188-6
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