U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Physical Measurement Laboratory

Atomic Reference Data for Electronic Structure Calculations, References

Share

  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).
Atomic / molecular / quantum and Reference data

Contacts

Sensor Science Division

Created October 15, 2015, Updated January 9, 2024