Efficient propagation of the hierarchical equations of motion using the matrix product state method

We apply the matrix product state (MPS) method to propagate the hierarchical equations of motion (HEOM). It is shown that the MPS approximation works well in different type of problems, including boson and fermion baths. The MPS method based on the time-dependent variational principle is also found...

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Bibliographic Details
Published in:The Journal of chemical physics 2018-05, Vol.148 (17), p.174102-174102
Main Authors: Shi, Qiang, Xu, Yang, Yan, Yaming, Xu, Meng
Format: Article
Language:English
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Summary:We apply the matrix product state (MPS) method to propagate the hierarchical equations of motion (HEOM). It is shown that the MPS approximation works well in different type of problems, including boson and fermion baths. The MPS method based on the time-dependent variational principle is also found to be applicable to HEOM with over one thousand effective modes. Combining the flexibility of the HEOM in defining the effective modes and the efficiency of the MPS method thus may provide a promising tool in simulating quantum dynamics in condensed phases.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.5026753