Reply to “Comment on ‘About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error’” [J. Chem. Phys.123, 164110 (2005)

Abstract

This reply focuses on two crucial aspects, the role of the self-interaction error on the calculation of the exchange coupling constants, which has been proposed by other authors and ourselves, and the excellent agreement between the results obtained with our theoretical approach and the experimental data for all kinds of magnetic transition metal compounds.