AlH3 and Al2H6: magic clusters with unmagical properties

Physical Review Letters

Volumn 86, Issue 4, 2001, Pages 692-695

  Rao, B K ^a   Jena, P ^a   Burkart, S ^b   Gantefor G ^b   Seifert, G ^c  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

^b UNIVERSITY OF KONSTANZ   (Germany)

^c UNIVERSITY OF PADERBORN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; BINDING ENERGY; CALCULATIONS; CHEMICAL BONDS; ELECTRONIC STRUCTURE; HYDROGEN; IONIZATION; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS;

ELECTRON AFFINITY; MAGIC CLUSTER; PHOTODETACHMENT SPECTROSCOPY;

ALUMINUM COMPOUNDS;

EID: 0035133721     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.86.692     Document Type: Article

References (25)

1. W. D. Knight, K. Clemenger, W. de Heer, M. Y. Chou, and M. Cohen, Phys. Rev. Lett. 52, 2141 (1984).
2. H. W. Kroto, J. R. Heath, S. C. O'Brien, R. F. Curl, and R. E. Smalley, Nature (London) 318, 162 (1985).
3. S. N. Khanna and P. Jena, Phys. Rev. Lett. 69, 1664 (1992); S. Saito and S. Ohnishi, Phys. Rev. Lett. 59, 190 (1987); H. Häkkinen and M. Manninen, Phys. Rev. Lett. 76, 1599 (1996); G. Rosenfeld, A. F. Becker, B. Poelsema, L. K. Verheij, and G. Comsa, Phys. Rev. Lett. 69, 917 (1992).
4. S. N. Khanna and P. Jena, Phys. Rev. Lett. 69, 1664 (1992); S. Saito and S. Ohnishi, Phys. Rev. Lett. 59, 190 (1987); H. Häkkinen and M. Manninen, Phys. Rev. Lett. 76, 1599 (1996); G. Rosenfeld, A. F. Becker, B. Poelsema, L. K. Verheij, and G. Comsa, Phys. Rev. Lett. 69, 917 (1992).
5. S. N. Khanna and P. Jena, Phys. Rev. Lett. 69, 1664 (1992); S. Saito and S. Ohnishi, Phys. Rev. Lett. 59, 190 (1987); H. Häkkinen and M. Manninen, Phys. Rev. Lett. 76, 1599 (1996); G. Rosenfeld, A. F. Becker, B. Poelsema, L. K. Verheij, and G. Comsa, Phys. Rev. Lett. 69, 917 (1992).
6. S. N. Khanna and P. Jena, Phys. Rev. Lett. 69, 1664 (1992); S. Saito and S. Ohnishi, Phys. Rev. Lett. 59, 190 (1987); H. Häkkinen and M. Manninen, Phys. Rev. Lett. 76, 1599 (1996); G. Rosenfeld, A. F. Becker, B. Poelsema, L. K. Verheij, and G. Comsa, Phys. Rev. Lett. 69, 917 (1992).
7. A. D. Becke, Phys. Rev. A 38, 3098 (1988); J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
8. A. D. Becke, Phys. Rev. A 38, 3098 (1988); J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
9. M. J. Frisch et al. Gaussian 94, Gaussian, Inc., Pittsburgh, PA, 1995.
10. X. Li, H. Wu, X. B. Wang, and L. S. Wang, Phys. Rev. Lett. 81, 1090 (1998).
11. B. K. Rao and P. Jena, J. Chem. Phys. 111, 1890 (1999).
12. C. Liang, R. D. Davy, and H. Schaefer, Chem. Phys. Lett. 159, 393 (1989); B. J. Duke, C. Liang, and H. F. Schaefer, J. Am. Chem. Soc. 113, 2884 (1991); B. J. Duke, J. Mol. Struct. 208, 197 (1990); K. Lammertsma and J. Leszczynski, J. Phys. Chem. 94, 2806 (1990); C. W. Bock, M. Trachtman, C. Murphy, B. Muschert, and G. J. Mains, J. Phys. Chem. 95, 2339 (1991).
13. C. Liang, R. D. Davy, and H. Schaefer, Chem. Phys. Lett. 159, 393 (1989); B. J. Duke, C. Liang, and H. F. Schaefer, J. Am. Chem. Soc. 113, 2884 (1991); B. J. Duke, J. Mol. Struct. 208, 197 (1990); K. Lammertsma and J. Leszczynski, J. Phys. Chem. 94, 2806 (1990); C. W. Bock, M. Trachtman, C. Murphy, B. Muschert, and G. J. Mains, J. Phys. Chem. 95, 2339 (1991).
14. C. Liang, R. D. Davy, and H. Schaefer, Chem. Phys. Lett. 159, 393 (1989); B. J. Duke, C. Liang, and H. F. Schaefer, J. Am. Chem. Soc. 113, 2884 (1991); B. J. Duke, J. Mol. Struct. 208, 197 (1990); K. Lammertsma and J. Leszczynski, J. Phys. Chem. 94, 2806 (1990); C. W. Bock, M. Trachtman, C. Murphy, B. Muschert, and G. J. Mains, J. Phys. Chem. 95, 2339 (1991).
15. C. Liang, R. D. Davy, and H. Schaefer, Chem. Phys. Lett. 159, 393 (1989); B. J. Duke, C. Liang, and H. F. Schaefer, J. Am. Chem. Soc. 113, 2884 (1991); B. J. Duke, J. Mol. Struct. 208, 197 (1990); K. Lammertsma and J. Leszczynski, J. Phys. Chem. 94, 2806 (1990); C. W. Bock, M. Trachtman, C. Murphy, B. Muschert, and G. J. Mains, J. Phys. Chem. 95, 2339 (1991).
16. C. Liang, R. D. Davy, and H. Schaefer, Chem. Phys. Lett. 159, 393 (1989); B. J. Duke, C. Liang, and H. F. Schaefer, J. Am. Chem. Soc. 113, 2884 (1991); B. J. Duke, J. Mol. Struct. 208, 197 (1990); K. Lammertsma and J. Leszczynski, J. Phys. Chem. 94, 2806 (1990); C. W. Bock, M. Trachtman, C. Murphy, B. Muschert, and G. J. Mains, J. Phys. Chem. 95, 2339 (1991).
17. M. Shen and H. Schaefer, J. Chem. Phys. 96, 2868 (1992).
18. V. Barone, L. Orlandini, and C. Adamo, J. Phys. Chem. 98, 13 185 (1994).
19. J. L. Duncan and J. Harper, Mol. Phys. 51, 371 (1984).
20. D. Porezag, Th. Frauenheim, Th. Köhler, G. Seifert, and R. Kaschner, Phys. Rev. B 51, 12 947 (1995).
21. M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, Th. Frauenheim, S. Suhai, and G. Seifert, Phys. Rev. B 58, 7260 (1998).
22. Chia-Yen Cha, G. Ganteför, and W. Eberhardt, Rev. Sci. Instrum. 63, 5661 (1992).
23. G. Ganteför, H. R. Siekmann, H. O. Lutz, and K.-H. Meiwes-Broer, Chem. Phys. Lett. 165, 293 (1990).
24. S. Burkart, N. Blessing, B. Klipp, J. Müller, G. Ganteför, and G. Seifert, Chem. Phys. Lett. 301, 546 (1999).
25. S. Burkart, N. Blessing, and G. Ganteför, Phys. Rev. B (to be published).