Exploring the Temperature Dependent Solid-State ALC Spectrum of the C6H6Mu• Radical with Ab-Initio Simulation Techniques

Published in Japanese Journal of Physics: Conference Series, 2017

Recommended citation: Sturniolo S, Liborio L, Pratt F L, Cottrell S P, Jochym D B, Montanari B, Proceedings of the 14th International Conference on Muon Spin Rotation, Relaxation and Resonance (μSR2017). http://journals.jps.jp/doi/10.7566/JPSCP.21.011036

The longitudinal field Avoided Level Crossing (ALC) muon spectrum of crystalline benzene, which is found to exhibit multiple complex features that strongly depend on temperature. In this work, we used a number of different computational techniques in conjunction to explain this behavior. An overall picture emerges in which the spectrum appears to be the result of an interplay of multiple dynamical effects, both classical and quantum mechanical.