Hybrid quantum-classical method for simulating high-temperature dynamics of nuclear spins in solids
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...
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| Main Authors: | , |
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| Format: | Article (Journal) Chapter/Article |
| Language: | English |
| Published: |
3 Jul 2018
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| In: |
Arxiv
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| Online Access: | Verlag, Volltext: http://arxiv.org/abs/1806.09355
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| Author Notes: | Grigory A. Starkov and Boris V. Fine |
| Summary: | 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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| Item Description: | Gesehen am 05.11.2020 |
| Physical Description: | Online Resource |