Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theory, by Timo Gräßer, Götz S. Uhrig

SciPost Physics Home Authoring Refereeing Submit a manuscript About Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theory Timo Gräßer, Götz S. Uhrig SciPost Phys. 20, 031 (2026) · published 4 February 2026 doi: 10.21468/SciPostPhys.20.2.031 pdf BiBTeX RIS Submissions/Reports Abstract The simulation of nuclear magnetic resonance (NMR) experiments is a notoriously difficult task, if many spins participate in the dynamics. The recently established dynamic mean-field theory for high-temperature spin systems (spinDMFT) represents an efficient yet accurate method to deal with this scenario. SpinDMFT reduces a complex lattice system to a time-dependent single-site problem, which can be solved numerically with small computational effort. Since the approach retains local quantum degrees of freedom, a quadrupolar term can be exactly incorporated. This allows us to study the interplay of dipolar and quadrupolar interactions for any parameter range, i.e., without the need for a perturbative treatment. We obtain a remarkable agreement with experimental data for an aluminium nitride monocrystal, which strongly suggests the use of spinDMFT as a prediction tool. Furthermore, we draw a comparison between a quantum-mechanical and a classical version of spinDMFT showing that local quantum effects are of great importance for the studied type of system. × TY - JOURPB - SciPost FoundationDO - 10.21468/SciPostPhys.20.2.031TI - Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theoryPY - 2026/02/04UR - https://scipost.org/SciPostPhys.20.2.031JF - SciPost PhysicsJA - SciPost Phys.VL - 20IS - 2SP - 031A1 - Gräßer, TimoAU - Uhrig, Götz S.AB - The simulation of nuclear magnetic resonance (NMR) experiments is a notoriously difficult task, if many spins participate in the dynamics. The recently established dynamic mean-field theory for high-temperature spin systems (spinDMFT) represents an efficient yet accurate method to deal with this scenario. SpinDMFT reduces a complex lattice system to a time-dependent single-site problem, which can be solved numerically with small computational effort. Since the approach retains local quantum degrees of freedom, a quadrupolar term can be exactly incorporated. This allows us to study the interplay of dipolar and quadrupolar interactions for any parameter range, i.e., without the need for a perturbative treatment. We obtain a remarkable agreement with experimental data for an aluminium nitride monocrystal, which strongly suggests the use of spinDMFT as a prediction tool. Furthermore, we draw a comparison between a quantum-mechanical and a classical version of spinDMFT showing that local quantum effects are of great importance for the studied type of system.ER - × @Article{10.21468/SciPostPhys.20.2.031, title={{Simulating the interplay of dipolar and quadrupolar interactions in NMR by spin dynamic mean-field theory}}, author={Timo Gräßer and Götz S. Uhrig}, journal={SciPost Phys.}, volume={20}, pages={031}, year={2026}, publisher={SciPost}, doi={10.21468/SciPostPhys.20.2.031}, url={https://scipost.org/10.21468/SciPostPhys.20.2.031},} Supplementary Information External links to supplemental resources; opens in a new tab. Code repository Ontology / Topics See full Ontology or Topics database. Decoherence Dipolar interactions Dynamical spin correlations Long-range interactions Quantum many-body systems Relaxation dynamics XXZ model Authors / Affiliation: mappings to Contributors and Organizations See all Organizations. 1 Timo Gräßer, 1 Götz S. Uhrig 1 Technische Universität Dortmund / TU Dortmund University [TU Dortmund] Funder for the research work leading to this publication Deutsche Forschungsgemeinschaft / German Research FoundationDeutsche Forschungsgemeinschaft [DFG]