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Applied Magnetic Resonance

The Correspondence Principle for Spin Systems: Simulations of Free Induction Decay with Classical and Quantum Spins

Victor K. Henner, Andrey R. Klots, ALEXANDER A. NEPOMNYASHCHY, Tatyana Belozerova

Published May 26, 2021• 6 citations
Publisher
DOI
10.1007/s00723-021-01351-0

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Abstract In the past decade, nuclear magnetic resonance (NMR) has been actively used to study the basic principles of quantum computers. It is assumed that quantum correlations play a significant role in their performance. They exist at both low and high temperatures. At the same time, the time correlation functions of nuclear spin systems of solids determine the observed signals in traditional NMR implementations. The separation of such signals into quantum and classical components has not previously been carried out and will be performed in this study for the most important of the correlational functions observed in magnetic resonance: the free induction decay (FID).
The quantum properties of dynamic correlations in a system of an electron spin surrounded by nuclear spins under the conditions of free induction decay (FID) and spin echo have been studied. Analytical results for the time evolution of mutual information, classical part of correlations, and quantum part characterized by quantum discord have been obtained within the central spin model in the high-temperature approximation. The same formulas describe the quantum discord in both the FID and the spin echo although the forms of the dependences are different because of difference in the parameters entering into the formulas. Discord of the spin echo compared with the FID has a strong dependence on time at short times, and it tends to zero with decreasing of the magnetic field, whereas in the case of the FID it reaches a plateau.
We investigate the spin dynamics of a dipole-coupled system by comparing a direct solution of the Schrodinger equation for quantum spins with simulations of classical spins. Although classical spins have long been used in microscopic spin dynamics simulations, we demonstrate that their results differ significantly from those of quantum spins. Using Free Induction Decay as a benchmark, we find that while the overall patterns are qualitatively similar, significant discrepancies emerge at both short and long timescales. We trace these differences to fundamental distinctions in the two descriptions.