We develop the multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB), a variational numerically exact ab initio method for studying the quantum dynamics and stationary properties of general bosonic systems. ML-MCTDHB takes advantage of the permutation symmetry of identical bosons, which allows for investigations of the quantum dynamics from few to many-body systems. Moreover, the multi-layer feature enables ML-MCTDHB to describe mixed bosonic systems consisting of arbitrary many species. Multi-dimensional as well as mixed-dimensional systems can be accurately and efficiently simulated via the multi-layer expansion scheme. We provide a detailed account of the underlying theory and the corresponding implementation. We also demonstrate the superior performance by applying the method to the tunneling dynamics of bosonic ensembles in a one-dimensional double well potential, where a single-species bosonic ensemble of various correlation strengths and a weakly interacting two-species bosonic ensemble are considered.
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7 October 2013
Research Article|
October 01 2013
The multi-layer multi-configuration time-dependent Hartree method for bosons: Theory, implementation, and applications
Lushuai Cao;
Lushuai Cao
1Zentrum für Optische Quantentechnologien,
Universität Hamburg
, Luruper Chaussee 149, D-22761 Hamburg, Germany
2
The Hamburg Centre for Ultrafast Imaging
, Luruper Chaussee 149, D-22761 Hamburg, Germany
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Sven Krönke;
Sven Krönke
1Zentrum für Optische Quantentechnologien,
Universität Hamburg
, Luruper Chaussee 149, D-22761 Hamburg, Germany
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Oriol Vendrell;
Oriol Vendrell
d)
2
The Hamburg Centre for Ultrafast Imaging
, Luruper Chaussee 149, D-22761 Hamburg, Germany
3
Center for Free-Electron Laser Science
, DESY, Notkestrasse 85, D-22607 Hamburg, Germany
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Peter Schmelcher
Peter Schmelcher
e)
1Zentrum für Optische Quantentechnologien,
Universität Hamburg
, Luruper Chaussee 149, D-22761 Hamburg, Germany
2
The Hamburg Centre for Ultrafast Imaging
, Luruper Chaussee 149, D-22761 Hamburg, Germany
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a)
L. Cao and S. Krönke have contributed equally to this work.
J. Chem. Phys. 139, 134103 (2013)
Article history
Received:
June 07 2013
Accepted:
September 02 2013
Citation
Lushuai Cao, Sven Krönke, Oriol Vendrell, Peter Schmelcher; The multi-layer multi-configuration time-dependent Hartree method for bosons: Theory, implementation, and applications. J. Chem. Phys. 7 October 2013; 139 (13): 134103. https://doi.org/10.1063/1.4821350
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