No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
The full text of this article is not currently available.
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)]
4.A. Bencini, F. Totti, C. A. Daul, K. Doclo, P. Fantucci, and V. Barone, Inorg. Chem. 36, 5022 (1997);
4.I. Ciofini, F. Illas, and C. Adamo, Chem. Phys. Lett. 120, 3811 (2004).
6.E. Ruiz, S. Alvarez, A. Rodríguez-Fortea, P. Alemany, Y. Pouillon, and C. Massobrio, in Magnetism: Molecules to Materials, edited by J. S. Miller and M. Drillon (Wiley-VCH, Weinheim, 2001), Vol. 2, p. 227.
7.E. Ruiz, Struct. Bond. 113, 71 (2004).
11.J. Grafenstein and D. Cremer, Mol. Phys. 103, 279 (2005).
12.F. Corà, M. Alfredsson, G. Mallia, D. S. Middlemiss, W. C. Mackrodt, R. Dovesi, and R. Orlando, Struct. Bond. 113, 171 (2004).
13.E. Ruiz, M. Llunell, J. Cano, P. Rabu, M. Drillon, and C. Massobrio, J. Phys. Chem. B 110, 115 (2006).
Article metrics loading...
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.
Full text loading...
Most read this month