The hierarchical equation of motion method has become one of the most popular numerical methods for describing the dissipative dynamics of open quantum systems linearly coupled to environment. However, its applications to systems with strong electron correlation are largely restrained by the computational cost, which is mainly caused by the high truncation tier L required to accurately characterize the strong correlation effect. In this work, we develop an adiabatic terminator by decoupling the principal dissipation mode with the fastest dissipation rate from the slower ones. The adiabatic terminator leads to substantially enhanced convergence with respect to L as demonstrated by the numerical tests carried out on a single impurity Anderson model. Moreover, the adiabatic terminator alleviates the numerical instability problems in the long-time dissipative dynamics.
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December 2021
Research Article|
December 01 2021
Adiabatic terminator for fermionic hierarchical equations of motion †
Special Collection:
Virtual issue on Theoretical and Computational Chemistry (2021)
Daochi Zhang;
Daochi Zhang
a
Hefei National Laboratory for Physical Sciences at the Microscale & Synergetic Innovation Center of Quantum Information and Quantum Physics & CAS Center for Excellence in Nanoscience, University of Science and Technology of China
, Hefei 230026, China
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Xu Ding;
Xu Ding
a
Hefei National Laboratory for Physical Sciences at the Microscale & Synergetic Innovation Center of Quantum Information and Quantum Physics & CAS Center for Excellence in Nanoscience, University of Science and Technology of China
, Hefei 230026, China
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Hou-Dao Zhang;
Hou-Dao Zhang
a
Hefei National Laboratory for Physical Sciences at the Microscale & Synergetic Innovation Center of Quantum Information and Quantum Physics & CAS Center for Excellence in Nanoscience, University of Science and Technology of China
, Hefei 230026, China
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Xiao Zheng;
Xiao Zheng
*
a
Hefei National Laboratory for Physical Sciences at the Microscale & Synergetic Innovation Center of Quantum Information and Quantum Physics & CAS Center for Excellence in Nanoscience, University of Science and Technology of China
, Hefei 230026, China
*Author to whom correspondence should be addressed. E-mail: [email protected]
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YiJing Yan
YiJing Yan
b
Hefei National Laboratory for Physical Sciences at the Microscale & iChEM, University of Science and Technology of China
, Hefei 230026, China
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*Author to whom correspondence should be addressed. E-mail: [email protected]
†
Part of Special Issue “John Z.H. Zhang Festschrift for celebrating his 60th birthday”.
Chin. J. Chem. Phys. 34, 905–914 (2021)
Article history
Received:
October 25 2021
Accepted:
November 08 2021
Citation
Daochi Zhang, Xu Ding, Hou-Dao Zhang, Xiao Zheng, YiJing Yan; Adiabatic terminator for fermionic hierarchical equations of motion. Chin. J. Chem. Phys. 1 December 2021; 34 (6): 905–914. https://doi.org/10.1063/1674-0068/cjcp2110212
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