Total Energy Studies for Ferromagnetic Nickel: What is the Optimum Combination of the Multi-band Gutzwiller Method and Density Functional Theory?

T. Ohm, S. Weiser, R. Umstätter +2

The multi-band Gutzwiller method, combined with calculations based on density functional theory, is employed to study total energy curves of the ferromagnetic ground state of Ni. A…