Many body study of iron(III) bound human serum transferrin

Abstract

We present the very first density functional theory + dynamical mean field theory calculations of iron-bound human serum transferrin. Peaks in the optical conductivity at 250, 300 and 450nm were observed, in line with experimental measurements. Spin multiplet analysis suggests that the ground state is a mixed state with high entropy, indicating the importance of strong electronic correlation in this system's chemistry.