Improved Charge Transfer Multiplet Method to Simulate M- and L-Edge X-ray Absorption Spectra of Metal-Centered Excited States

Kaili Zhang, Gregory S. Girolami, Josh Vura-Weis

Charge transfer multiplet (CTM) theory is a computationally undemanding and highly mature method for simulating the soft X-ray spectra of first-row transition metal complexes. Howe…