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most citedOptical Absorption Study by Ab initio Downfolding Approach: Application to GaAs

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cond-mat.str-el2005

First-principles Calculation of Effective Onsite Coulomb Interaction of 3d Transition Metals: Constrained Local Density Functional Approach with Maximally Localized Wannier Function

Kazuma Nakamura, Ryotaro Arita, Yoshihide Yoshimoto +1

We present a new ab initio method for calculating effective onsite Coulomb interactions of itinerant and strongly correlated electron systems. The method is based on constrained lo…