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Numerically-Exact Schrödinger Dynamics of Closed and Open Many-Boson Systems with the MCTDHB Package

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Book cover High Performance Computing in Science and Engineering ‘13

Abstract

The quantum many-body dynamics of indistinguishable, interacting particles are described by the time-dependent many-body Schrödinger equation (TDSE). The TDSE constitutes a difficult problem and is not solvable analytically in most cases. The present review article expedites and benchmarks the capabilities of a novel theoretical method, the multiconfigurational time-dependent Hartree method for bosons (MCTDHB) that is designed for solving the TDSE of interacting bosonic particles. The MCTDHB package is a software implementation that solves the equations of motion of MCTDHB numerically. It is assessed with a benchmark versus an analytically treatable model of trapped interacting bosons (a closed system) that the MCTDHB is capable of solving the TDSE for bosons numerically exactly, i.e., to any desired numerical precision. Furthermore, the structure and parallelization of the MCTDHB package as well as an application to the tunneling to open space dynamics [Proc. Natl. Acad. Sci. USA, 109, 13521 (2012)] are discussed.

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Notes

  1. 1.

    Open Multi-Processing.

  2. 2.

    Message Passing Interface.

  3. 3.

    Non-Uniform Memory Access.

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Authors and Affiliations

  1. Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, 69120, Heidelberg, Germany

    Axel U. J. Lode, Julian Grond, Alexej I. Streltsov & Lorenz S. Cederbaum

  2. Department of Physics, Stanford University, Stanford, CA, 94305, USA

    Kaspar Sakmann

  3. Department of Physics, University of Haifa at Oranim, Tivon, 36006, Israel

    Ofir E. Alon

  4. Department of Physics, Özyilmaz Group, National University of Singapore, S13-02-13, 2 Science Drive 3, 117542, Singapore, Singapore

    Rostislav A. Doganov

Authors
  1. Axel U. J. Lode
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  2. Kaspar Sakmann
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  3. Rostislav A. Doganov
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  4. Julian Grond
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  5. Ofir E. Alon
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  6. Alexej I. Streltsov
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  7. Lorenz S. Cederbaum
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Corresponding author

Correspondence to Axel U. J. Lode .

Editor information

Editors and Affiliations

  1. Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH), Technische Universität Dresden, Dresden, Germany

    Wolfgang E. Nagel

  2. Abteilung für Angewandte Mathematik, Universität Freiburg, Freiburg, Germany

    Dietmar H. Kröner

  3. Höchstleistungsrechenzentrum Stuttgart (HLRS), Universität Stuttgart, Stuttgart, Germany

    Michael M. Resch

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Lode, A.U.J. et al. (2013). Numerically-Exact Schrödinger Dynamics of Closed and Open Many-Boson Systems with the MCTDHB Package. In: Nagel, W., Kröner, D., Resch, M. (eds) High Performance Computing in Science and Engineering ‘13. Springer, Cham. https://doi.org/10.1007/978-3-319-02165-2_7

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