Visualization of dynamics in coupled multi-spin systems

Abstract

Abstract. Since the dawn of quantum mechanics, ways to visualize spins and their interactions have attracted the attention of researchers and philosophers of science. In this work we present a generalized measurement-based 3D-visualization approach for describing dynamics in strongly coupled spin ensembles. The approach brings together angular momentum probability surfaces (AMPS), Husimi Q functions, and DROPS (discrete representations of operators for spin systems) and finds particular utility when the total angular momentum basis is used for describing Hamiltonians. We show that, depending on the choice of a generalized measurement operator, the plotted surfaces either represent probabilities of finding the maximal projection of an angular momentum along any direction in space or represent measurable coherences between the states with different total angular momenta. Such effects are difficult to grasp by looking at (time-dependent) numerical values of density-matrix elements. The approach is complete in a sense that there is one-to-one correspondence between the plotted surfaces and the density matrix. Three examples of nuclear spin dynamics in two-spin systems are visualized: (i) a zero- to ultralow-field (ZULF) nuclear magnetic resonance (NMR) experiment in the presence of a magnetic field applied perpendicularly to the sensitive axis of the detector, (ii) interplay between chemical exchange and spin dynamics during high-field signal amplification by reversible exchange (SABRE), and (iii) a high-field spin-lock-induced crossing (SLIC) sequence, with the initial state being the singlet state between two spins. The presented visualization technique facilitates intuitive understanding of spin dynamics during complex experiments as exemplified here by the considered cases. Temporal sequences (“the movies”) of such surfaces show phenomena like interconversion of spin order between the coupled spins and are particularly relevant in ZULF NMR.