Corrigendum: Atomic Contributions from Spin-Orbit Coupling to29Si NMR Chemical Shifts in Metallasilatrane Complexes

Abstract

On page 12 805 of this full paper, Equation (1) was printed incorrectly. The correct Equation is given here in its context. The ZORA one-electron operator used in density functional theory (DFT) with a local effective self-consistent potential V reads in atomic units1 with In Equation (1), σ is the 3-vector of 2×2 Pauli spin matrices, with components σ=(σx, σy, σz), and p=−i∇ is the momentum operator.