G-tensor: Zeeman interaction

Lead references (EPR/NMR program)

G. Schreckenbach and T. Ziegler, Calculation of the G-tensor of electron paramagnetic resonance spectroscopy using Gauge-Including Atomic Orbitals and Density Functional Theory. Journal of Physical Chemistry A 101, 3388 (1997) (for ESR/EPR g-tensor)

S. Patchkovskii and T. Ziegler, Calculation of the EPR g-Tensors of High-Spin Radicals with Density Functional Theory. Journal of Physical Chemistry A 105, 5490 (2001) (for high-spin ESR/EPR g-tensor)

Lead reference (ADF)

E. van Lenthe, A. van der Avoird and P.E.S. Wormer, Density functional calculations of molecular g-tensors in the zero order regular approximation for relativistic effects. Journal of Chemical Physics 107, 2488 (1997)