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.

arXiv comment27 pages, 10 figures

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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
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• 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