Hampus Karlsson

Semiclassical Molecular Dynamics for Condensed Phase NMR Spectroscopy

We use the Meyer–Miller formalism and the Caldeira–Leggett model with its associated and discretized spectral density formalism, to explore the impact of harmonic oscillator baths on the spectral line shapes of single- and two-spin I=12 NMR spin systems. The complex coefficients associated with the spin degrees of free...