The multi-layer multi-configuration time-dependent Hartree method for bosons: Theory, implementation, and applications

被引:114
作者
Cao, Lushuai [1 ,2 ]
Kroenke, Sven [1 ]
Vendrell, Oriol [2 ,3 ]
Schmelcher, Peter [1 ,2 ]
机构
[1] Univ Hamburg, Zentrum Opt Quantentechnologien, D-22761 Hamburg, Germany
[2] Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany
[3] DESY, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany
关键词
POTENTIAL-ENERGY SURFACES; PROPAGATING WAVEPACKETS; PRODUCT REPRESENTATION; JOSEPHSON-JUNCTION; QUANTUM DYNAMICS; LATTICES;
D O I
10.1063/1.4821350
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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. (C) 2013 AIP Publishing LLC.
引用
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页数:19
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