期刊
JOURNAL OF CHEMICAL PHYSICS
卷 139, 期 13, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4821350
关键词
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资金
- Studienstiftung des deutschen Volkes
- Deutsche Forschungsgemeinschaft (DFG) [SFB 925]
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.
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