Title: Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group,
Abstract: We present a state interaction spin-orbit coupling method to calculate
electron paramagnetic resonance (EPR) $g$-tensors from density matrix
renormalization group wavefunctions. We apply the technique to compute
$g$-tensors for the \ce{TiF3} and \ce{CuCl4^2-} complexes, a [2Fe-2S] model of
the active center of ferredoxins, and a \ce{Mn4CaO5} model of the S2 state of
the oxygen evolving complex. These calculations raise the prospects of
determining $g$-tensors in multireference calculations with a large number of
open shells.