Full charge-density scheme with a kinetic-energy correction: Application to ground-state properties of the 4d metals

Physical Review B - Condensed Matter and Materials Physics

Volumn 55, Issue 20, 1997, Pages 13521-13527

  Vitos, L ^a   Kollar J ^a   Skriver, H ^b  

^a WIGNER RESEARCH CENTRE FOR PHYSICS   (Hungary)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001527555     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.55.13521     Document Type: Article

References (42)

1. O. K. Andersen, Solid State Commun. 13, 133 (1973).
2. O. K. Andersen and R. G. Wolley, Mol. Phys. 26, 905 (1973).
3. O. K. Andersen, Phys. Rev. B 12, 3060 (1975).
4. A. R. Williams, J. Kübler and C. D. Gelatt, Phys. Rev. B 19, 6094 (1979).
5. H. L. Skriver, The LMTO Method (Springer-Verlag, Berlin, 1984).
6. O. K. Andersen and O. Jepsen, Phys. Rev. Lett. 53, 2571 (1984).
7. O. K. Andersen, O. Jepsen, and D. Glötzel, in Highlights of Condensed-Matter Theory, edited by F. Bassani, F. Fumi, and M. P. Tosi (North-Holland, New York, 1985).
8. W. R. L. Lambrecht and O. K. Andersen, Phys. Rev. B 34, 2439 (1986).
9. O. K. Andersen, Z. Pawlowska and O. Jepsen, Phys. Rev. B 34, 5253 (1986).
10. G. W. Fernando, B. R. Cooper, M. V. Ramana, H. Krakauer and C. Q. Ma, Phys. Rev. Lett. 56, 2299 (1986).
11. J. M. Wills and B. R. Cooper, Phys. Rev. B 36, 3809 (1987).
12. M. Springborg and O. K. Andersen, J. Chem. Phys. 87, 7125 (1987).
13. M. Methfessel, Phys. Rev. B 38, 1537 (1988).
14. M. Methfessel, C. O. Rodriguez and O. K. Andersen, Phys. Rev. B 40, 2009 (1989).
15. S. Savrasov and D. Savrasov, Phys. Rev. B 46, 12 181 (1992).
16. I. A. Abrikosov, A. M. N. Niklasson, S. I. Simak, B. Johansson, A. V. Ruban and H. L. Skriver, Phys. Rev. Lett. 76, 4203 (1996).
17. P. Hohenberg and W. Kohn, Phys. Rev. 136B, 864 (1964).
18. L. Vitos, J. Kollár and H. L. Skriver, Phys. Rev. B 49, 16694 (1994).
19. J. Kollár, L. Vitos and H. L. Skriver, Phys. Rev. B 49, 11 288 (1994).
20. L. Vitos, J. Kollár and H. L. Skriver, Phys. Rev. B 55, 4947 (1997).
21. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
22. C. O. Rodriguez and M. Methfessel, Phys. Rev. B 45, 90 (1992).
23. V. P. Antropov and B. N. Harmon, Phys. Rev. B 51, 1918 (1995).
24. A. E. DePristo and J. D. Kress, Phys. Rev. A 35, 438 (1987).
25. O. K. Andersen, O. Jepsen, and G. Krier, in Methods of Electronic Structure Calculations, edited by V. Kumar, O. K. Andersen, and A. Mookerjee (World Scientific, Singapore, 1994), p. 63.
26. J. P. Perdew, in Electronic Structure of Solids, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991).
27. R. M. Dreizler and E. K. U. Gross, Density Functional Theory (Springer-Verlag, Berlin, 1990).
28. O. K. Andersen, O. Jepsen, and M. Sob, in Electronic Band Structure and its Applications, edited M. Yussouff, Lecture Notes in Physics Vol. 283 (Springer, New York, 1987).
29. E. W. Pearson and R. G. Gordon, J. Chem. Phys. 82, 881 (1985)
30. J. van W. Morgan, J. Phys. C 10, 1181 (1977).
31. A. Gonis, E. C. Sowa and P. A. Sterne, Phys. Rev. Lett. 66, 2207 (1991).
32. L. Vitos and J. Kollár, Phys. Rev. B 51, 4074 (1995).
33. J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
34. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
35. V. Ozoilins and M. Körling, Phys. Rev. B 48, 18 304 (1993)
36. S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys. 58, 1200 (1908).
37. D. A. Young, Phase Diagrams of the Elements (University of California Press, Berkeley, 1991).
38. M. Dacorogna, J. Ashkenazi and M. Peter, Phys. Rev. B 26, 1527 (1982).
39. N. E. Christensen, Solid State Commun. 49, 701 (1984).
40. N. E. Christensen, Solid State Commun. 50, 177 (1984).
41. N. E. Christensen, Phys. Rev. B 29, 5547 (1984).
42. P. Söderlind, O. Eriksson, J. M. Wills and A. M. Boring, Phys. Rev. B 48, 5844 (1993)