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arXiv · 1806.09355

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

Grigory A. Starkov·Boris V. Fine
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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.

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BibTeXRIS

Grigory A. Starkov, Boris V. Fine. 2018-06-25. Hybrid quantum-classical method for simulating high-temperature dynamics of nuclear spins in solids. https://doi.org/10.1103/physrevb.98.214421

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