Relativistic density-functional calculations of interconfigurational energies for second and third transition-metal rows

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 12, 2002, Pages 1251051-1251059

  Ren, Chung Yuan ^a   Jeng, Horng Tay ^b   Hsue, Chen Shiung ^b  

^a KAO YUAN INSTITUTE OF TECHNOLOGY   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

TRANSITION ELEMENT;

ARTICLE; CALCULATION; ENERGY; IONIZATION; MATHEMATICAL ANALYSIS; THEORY;

EID: 0037105053     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.125105     Document Type: Article

References (20)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
2. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
3. U. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972).
4. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
5. J. P. Perdew and W. Yue, Phys. Rev. B 33, 8800 (1986); J. P. Perdew, ibid. 33, 8822 (1986).
6. J. P. Perdew and W. Yue, Phys. Rev. B 33, 8800 (1986); J. P. Perdew, ibid. 33, 8822 (1986).
7. S. Kotochigova, Z. H. Levine, E. L. Shirley, M. D. Stiles, and C. W. Clark, Phys. Rev. A 55, 191 (1997).
8. X. M. Tong and S. I. Chu, Phys. Rev. A 57, 855 (1998).
9. S. Varga, E. Engel, W. D. Sepp, and B. Fricke, Phys. Rev. A 59, 4288 (1999).
10. R. L. Martin and P. J. Hay, J. Chem. Phys. 75, 4539 (1981).
11. R. D. Cowan and D. C. Griffin, J. Opt. Soc. Am. 66, 1010 (1976).
12. F. W. Kutzler and G. S. Painter, Phys. Rev. B 43, 6865 (1991).
13. O. V. Gritsenko,. N. A. Cordero, A. Rubio, L. C. Balb́s, and J. A. Alonso, Phys. Rev. A 48, 4197 (1993).
14. D. D. Koelling and B. N. Harmon, J. Phys. C 10, 3107 (1977).
15. H. T. Jeng and C. S. Hsue, Phys. Rev. B 62, 9876 (2000).
16. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
17. E. Engel, H. Müller, C. Speicher, and R. M. Dreizler, in Density Functional Theory, edited by E. K. U. Gross and R. M. Dreizler, Vol. 337 of NATO Advanced Study Institute, Series B: Physics (Plenum, New York, 1995), p. 65.
18. A. H. MacDonald and S. H. Vosko, J. Phys. C 12, 2977 (1979).
19. C. E. Moore, Atomic Energy Levels (Natl. Bur. Stand., Washington, D.C.) Circular 467, Vols. 2 and 3 (1959).
20. R. D. Cowan, The Theory of Atomic Structure and Spectra (University of California Press, Berkeley, 1981), p. 138.