Hybrid quantum-classical method for simulating high-temperature dynamics of nuclear spins in solids

Abstract

First-principles calculations of high-temperature spin dynamics in solids in the context of nuclear magnetic resonance (NMR) is a long-standing problem, whose conclusive solution can significantly advance the applications of NMR as a diagnostic tool for material properties. In this work, we propose a new hybrid quantum-classical method for computing NMR free induction decay(FID) for spin $1/2$ lattices. The method is based on the simulations of a finite cluster of spins $1/2$ coupled to an environment of interacting classical spins via a correlation-preserving scheme. Such simulations are shown to lead to accurate FID predictions for one-, two- and three-dimensional lattices with a broad variety of interactions. The accuracy of these predictions can be efficiently estimated by varying the size of quantum clusters used in the simulations.

27 pages, 10 figures

References in corpus (6)

• Coherence of Nitrogen-Vacancy Electronic Spin Ensembles in Diamond
• Singlet-triplet decoherence due to nuclear spins in a double quantum dot
• Quantum many-body theory for electron spin decoherence in nanoscale nuclear spin baths
• Quantum parallelism as a tool for ensemble spin dynamics calculations
• Largest Lyapunov exponents for lattices of interacting classical spins
• Effectiveness of classical spin simulations for describing NMR relaxation of quantum spins

Cited by in corpus (11)

• Quantum versus Classical Dynamics in Spin Models: Chains, Ladders, and Square Lattices
• Quantum dynamics in one and two dimensions via recursion method
• Quantum computation of molecular structure using data from challenging-to-classically-simulate nuclear magnetic resonance experiments
• Free induction decays in nuclear spin-1/2 lattices with small number of interacting neighbors: the cases of silicon and fluorapatite
• The exact solution for the free induction decay in a quasi-one-dimensional system in a multi-pulse NMR experiment
• Spatiotemporal dynamics of classical and quantum density profiles in low-dimensional spin systems
• Classical spin simulations with a quantum two-spin correction
• First-principles simulation of spin diffusion in static solids using dynamic mean-field theory
• Classical periodic trajectories and quantum scars in many-spin systems
• Microscopic understanding of NMR signals by dynamic mean-field theory for spins
• Cooling classical many-spin systems using feedback control