Skip to main content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

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