A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules†
We estimate the time- and temperature-evolution of spin energy levels in a metallopeptide by combining molecular dynamics with crystal field analysis. Fluctuations of tens of cm−1 for spin energy levels at fs times gradually average out at longer times. We confirm that local vibrations are key in spin dynamics.
- This article is part of the themed collection: 2019 PCCP HOT Articles