Hybrid quantum-classical method for simulating spin-spin relaxation in solid-state NMR.

We propose a new hybrid quantum-classical method for first-principles calculations of NMR free induction decay (FID) in solids where spin-1/2 nuclei form periodic 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.

Reference:
[1] G. A. Starkov and B. V. Fine, arXiv:1806.09355 (2018).