collaborators

1 paper

cond-mat.mtrl-sci2025

NMR chemical shielding for solid-state systems using spin-orbit coupled ZORA GIPAW

T. Speelman, M. -T. Huebsch, R. W. A. Havenith +2

We present an implementation of spin-orbit coupling (SOC) for the computation of nuclear magnetic resonance (NMR) chemical shielding tensors within linear response theory. Our impl…