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Study of the Passage of an H +  Ion Along a Carbon Nanotube Using Quantum Wavepacket Dynamics

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Computational Science and Its Applications - ICCSA 2006 (ICCSA 2006)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 3980))

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Abstract

The passage of an H +  ion along a carbon nanotube is studied using a time-dependent wavepacket method. The initial state of the problem can be completely specified in terms of the mean energy of the ion along the nanotube, its radial energy (which is necessarily quantised given the wall boundary condition) and its angular momentum along an axis parallel to the nanotube. Its time-dependent flux across two boundaries on the two ends of the nanotube is monitored and examined for various initial conditions. Such calculations can serve to model more complicated systems, such as the migration of ions along cellular membranes.

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Author information

Authors and Affiliations

  1. Department of Mathematics and Computer Science, University of Perugia, Via Vanvitelli, 1, I-06124, Perugia, Italy

    Dimitris Skouteris

  2. Department of Chemistry, University of Perugia, Via Elce di Sotto, 8, I-06123, Perugia, Italy

    Antonio Laganá

Authors
  1. Dimitris Skouteris
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  2. Antonio Laganá
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Editor information

Editors and Affiliations

  1. Department of Computer Science, University of Calgary, 2500 University Drive N.W., T2N 1N4, Calgary, AB, Canada

    Marina Gavrilova

  2. Department of Mathematics and Computer Science, University of Perugia, via Vanvitelli, 1, I-06123, Perugia, Italy

    Osvaldo Gervasi

  3. William Norris Professor, Head of the Computer Science and Engineering Department, University of Minnesota, USA

    Vipin Kumar

  4. OptimaNumerics Ltd., Cathedral House, 23-31 Waring Street, BT1 2DX, Belfast, UK

    C. J. Kenneth Tan

  5. Clayton School of IT, Monash University, 3800, Clayton, Australia

    David Taniar

  6. Department of Chemistry, University of Perugia, Via Elce di Sotto, 8, I-06123, Perugia, Italy

    Antonio Laganá

  7. School of Computing, Soongsil University, Seoul, Korea

    Youngsong Mun

  8. School of Information and Communication Engineering, Sungkyunkwan University, Korea

    Hyunseung Choo

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© 2006 Springer-Verlag Berlin Heidelberg

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Skouteris, D., Laganá, A. (2006). Study of the Passage of an H +  Ion Along a Carbon Nanotube Using Quantum Wavepacket Dynamics. In: Gavrilova, M., et al. Computational Science and Its Applications - ICCSA 2006. ICCSA 2006. Lecture Notes in Computer Science, vol 3980. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11751540_81

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  • DOI: https://doi.org/10.1007/11751540_81

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-34070-6

  • Online ISBN: 978-3-540-34071-3

  • eBook Packages: Computer ScienceComputer Science (R0)

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