Extended dissipaton equation of motion for electronic open quantum systems: Application to the Kondo impurity model

Yu Su; Zi-Hao Chen; Yao Wang; Xiao Zheng; Rui-Xue Xu; YiJing Yan

doi:10.1063/5.0155585

Extended dissipaton equation of motion for electronic open quantum systems: Application to the Kondo impurity model

J Chem Phys. 2023 Jul 14;159(2):024113. doi: 10.1063/5.0155585.

Authors

Yu Su¹, Zi-Hao Chen², Yao Wang¹, Xiao Zheng^{1

3}, Rui-Xue Xu^{1

2}, YiJing Yan^{1

4}

Affiliations

¹ Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
² CAS Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China.
³ Department of Chemistry, Fudan University, Shanghai 200433, China.
⁴ Department of Chemistry, School of Science, Westlake University, Hangzhou, Zhejiang 310024, China.

PMID: 37428061
DOI: 10.1063/5.0155585

Abstract

In this paper, we present an extended dissipaton equation of motion for studying the dynamics of electronic impurity systems. Compared with the original theoretical formalism, the quadratic couplings are introduced into the Hamiltonian accounting for the interaction between the impurity and its surrounding environment. By exploiting the quadratic fermionic dissipaton algebra, the proposed extended dissipaton equation of motion offers a powerful tool for studying the dynamical behaviors of electronic impurity systems, particularly in situations where nonequilibrium and strongly correlated effects play significant roles. Numerical demonstrations are carried out to investigate the temperature dependence of the Kondo resonance in the Kondo impurity model.