Simulating decoherence of two coupled spins using the generalized cluster correlation expansion

X Xiao Chen S Silas Hoffman (Department of Physics, University of Florida 2 , Gainesville, Florida 32611,) J James N. Fry (Department of Physics, Northeastern University 1 , Boston, Massachusetts 02115,) H Hai-Ping Cheng (Department of Physics)

Abstract

We simulate the coherence of two coupled electron spins interacting with a bath of nuclei using the generalized cluster correlation expansion method. An exchange interaction between the electrons facilitates a family of entangling gates that can be spoiled by nuclear-induced dephasing. Consequently, we study the dephasing of the coherent two-electron system by characterizing the T2 and T2* of the two-electron reduced density matrix for various system parameters in the range mimicking magnetic molecules, including magnetic field strength and orientation, exchange interaction strength, distance between the two spins, minimum distance between electron and nuclei and between nuclei, and nuclei density. We find the optimal regime for each parameter in which the coherence time is maximized and provide a physical understanding of it.

Article Details

Volume / Issue Vol. 163, Issue 22
Published December 14, 2025
ISSN 0021-9606
Publisher American Institute of Physics

Journal Info

The Journal of Chemical Physics

American Institute of Physics

ISSN: 0021-9606 Physical Sciences

Authors (4)

X

Xiao Chen

S

Silas Hoffman

Department of Physics, University of Florida 2 , Gainesville, Florida 32611,

J

James N. Fry

Department of Physics, Northeastern University 1 , Boston, Massachusetts 02115,

H

Hai-Ping Cheng

Department of Physics