Abstract
D-SIC is a method to correct the local-density approximation for the self-interaction effects which is strictly based on the homogeneous gas theory. In this chapter, the theoretical foundations of the method will be reviewed and a large set of tests and applications in atomic calculations will be presented. Furthermore, an extensive comparison with a variety of other approximations in use in the density-functional theory will be given.
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References
Almbladh, C. O., and von Barth, U., 1985, Phys. Rev. B 31: 3231.
Becke, A. D., 1988, Phys. Rev. A 38: 3098.
Clementi, E., and Roetti, C., 1974, At. Data and Nucl. Data Tables, 14: 177.
Cortona, P., 1986, Phys. Rev. A 34: 769.
Cortona, P., 1988, Phys. Rev. A 38: 3850.
Cortona, P., Böbel, G., and Fumi, F. G., 1989, J. Phys. France 50: 2647.
Cortona, P., 1989, Phys. Rev. B 40: 12105.
Fermi, E., and Arnaldi, E., 1934, Mem. Accad. d’Italia 6: 119.
Gunnarsson, O., and Lundqvist, B. I., 1976, Phys. Rev. B 13: 4274.
Hotop, H., and Lineberger, W.C., 1985, J. Phys. Chem. Ref. Data 14: 731.
Hohenberg, P., and Kohn, W., 1964, Phys. Rev. 136: B864.
Hu, C. D., and Langreth, D. C., 1985, Phys. Scr. 32: 391.
Kohn, W., and Sham, L. J., 1965, Phys. Rev. 140: A1133.
Lagowski, J. B., and Vosko, S. H., 1988, J. Phys. B: At. Mol. Opt. Phys. 21: 203.
Lagowski, J. B., and Vosko, S. H., 1989, Phys. Rev. A 39: 4972.
McLean, A. D., and McLean, R.S., 1981, At. Data and Nucl. Data Tables 26: 197.
Perdew, J. P., and Zunger, A., 1981, Phys. Rev. B 23: 5048.
Perdew, J. P., 1986, Phys. Rev. B 33: 8822.
Rae, A. I. M., 1975, Mol. Phys. 29: 467.
Stoll, H., Pavlidou, C. M. E., and Preuss, H., 1978, Theor. Chim. Acta 149: 143.
Vosko, S. H., and Wilk, L., 1983, J. Phys. B: At. Mol. Phys. 16: 3687.
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© 1991 Springer-Verlag New York, Inc.
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Cortona, P. (1991). Overview of the Degeneracy-Dependent Self-Interaction Correction (D-SIC). In: Labanowski, J.K., Andzelm, J.W. (eds) Density Functional Methods in Chemistry. Springer, New York, NY. https://doi.org/10.1007/978-1-4612-3136-3_20
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DOI: https://doi.org/10.1007/978-1-4612-3136-3_20
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