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首页> 外文期刊>The Journal of Chemical Physics >The multi-layer multi-configuration time-dependent Hartree method for bosons: Theory, implementation, and applications
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The multi-layer multi-configuration time-dependent Hartree method for bosons: Theory, implementation, and applications

机译：玻色子的多层多组态时变Hartree方法：理论，实现和应用

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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.
机译：我们开发了玻色子的多层多组态时变Hartree方法（ML-MCTDHB），这是一种数值精确的从头算变方法，用于研究一般玻色子系统的量子动力学和平稳性质。 ML-MCTDHB利用了相同玻色子的排列对称性，从而可以研究从少数到多体系统的量子动力学。此外，多层功能使ML-MCTDHB能够描述由任意多种物种组成的混合玻色子系统。通过多层扩展方案，可以准确有效地模拟多维系统和混合维系统。我们详细介绍了基础理论和相应的实现。我们还通过将方法应用于一维双阱势中的玻色合奏的隧穿动力学来证明了优越的性能，其中考虑了具有各种相关强度的单物种玻色合奏和弱相互作用的两个物种玻色合奏。

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