Isomorphism between the multi-state Hamiltonian and the second-quantized many-electron Hamiltonian with only 1-electron interactions

Jian Liu

doi:10.1063/1.4973708

Isomorphism between the multi-state Hamiltonian and the second-quantized many-electron Hamiltonian with only 1-electron interactions

J Chem Phys. 2017 Jan 14;146(2):024110. doi: 10.1063/1.4973708.

Author

Jian Liu¹

Affiliation

¹ Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.

PMID: 28088135
DOI: 10.1063/1.4973708

Abstract

We introduce the isomorphism between an multi-state Hamiltonian and the second-quantized many-electron Hamiltonian (with only 1-electron interactions). This suggests that all methods developed for the former can be employed for the latter, and vice versa. The resonant level (Landauer) model for nonequilibrium quantum transport is used as a proof-of-concept example. Such as the classical mapping models for the multi-state Hamiltonian proposed in our previous work [J. Liu, J. Chem. Phys. 145, 204105 (2016)] lead to exact results for this model problem. We further demonstrate how these methods can also be applied to the second-quantized many-electron Hamiltonian even when 2-electron interactions are included.