Role of self-interaction effects in the geometry optimization of small metal clusters

Europhysics Letters

Volumn 34, Issue 1, 1996, Pages 13-18

  Pacheco, J M ^a   Ekardt, W ^b   Schone W D ^b  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030551398     PISSN: 02955075     EISSN: None     Source Type: Journal    
DOI: 10.1209/epl/i1996-00408-4     Document Type: Article

References (19)

1. JENA P., KHANNA S. N. and RAO B. K. (Editors), Physics and Chemistry of Finite Systems: From Clusters to Crystals (Kluwer Academic, The Netherlands) 1992.
2. HAMANN B. K., Phys. Rev. B, 40 (1989) 2980.
3. TROULLIER N. and MARTINS J. L., Phys. Rev. B, 43 (1991) 1993.
4. SUNG M-W., KAWAI R. and WEARE J. H., Phys. Rev. Lett., 73 (1994) 3552.
5. BONAČIĆ-KOUTECKÝ V. et al., Chem. Rev., 91 (1991) 1035 and references therein.
6. PERDEW J. P. and ZUNGER A., Phys. Rev. B, 23 (1981) 5048.
7. MOULLET I., ANDREONI W. and GIANNOZZI P., J. Chem. Phys., 90 (1989) 7306.
8. KALDOR U., Theor. Chim. Acta, 80 (1991) 427.
9. EGUILUZ A. G., Phys. Rev. B, 35 (1987) 5473.
10. SCHÖNE W.-D., EKARDT W. and PACHECO J. M., Phys. Rev. B, 50 (1994) 11079.
11. PACHECO J. M., EKARDT W., Ann. Phys. (Leipzig) B, 1 (1992) 254.
12. RÖTHLISBERGER U. and ANDREONI W., J. Chem. Phys., 94 (1991) 8129.
13. BONAČIĆ-KOUTECKÝ V. et al., Chem. Phys. Lett., 170 (1990) 26.
14. MOULLET I. and MARTINS J. L., J. Chem. Phys., 92 (1990) 527.
15. FOIS E., PENMAN J. I. and MADDEN P. A., J. Chem. Phys., 98 (1993) 6352.
16. BARNETT R. N., LANDMAN U. and CLEVELAND C. L., Phys. Rev. B, 27 (1983) 6534.
17. REINERS TH. et al., Chem. Phys. Lett., 215 (1993) 357.
18. SCHÖNE W.-D., EKARDT W. and PACHECO J. M., Z. Phys. D, 36 (1996) 65.
19. PACHECO J. M. and EKARDT W., in preparation.