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Atomic Reference Data for Electronic Structure Calculations, References

  1. J.F. Annett, Computational Materials Science 4, 23 (1995).

  2. R.O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989).

  3. R.G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).

  4. S.H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980); S.H. Vosko and L. Wilk, Phys. Rev. B 22, 3812 (1980).

  5. W. Kohn and L.J. Sham, Phys. Rev. A 140, 1133 (1965).

  6. D. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 4264 (1980).

  7. A.H. MacDonald and S.H. Vosko, J. Phys. C: Solid State Phys. 12, 2977 (1979).

  8. J.P. Desclaux, Comp. Phys. Comm. 1, 216 (1969).

  9. Z. H. Levine and J. W. Wilkins, J. Comp. Phys. 83, 361 (1989).

  10. U. von Barth and L. Hedin, Phys. Rev. B 4, 1629 (1972).

  11. O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976).

  12. H.A. Bethe and E.E. Salpeter, Quantum Mechanics of One- and Two-Electron Atoms (Springer-Verlag, New York, 1957), p. 62.

  13. A.K. Rajagopal, J. Phys. C: Solid State Phys. 11, L943 (1978).

  14. D.D. Koelling and B.N. Harmon, J. Phys. C: Solid State Phys. 10, 3107 (1977).

Contacts

Quantum Measurement Division

Created October 15, 2015, Updated November 15, 2019