Evolution of the electronic and ionic structure of Mg clusters with increase in cluster size

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 67, Issue 6, 2003, Pages 632031-6320313

  Lyalin, Andrey ^a,b   Solov'yov, Ilia A ^a,c   Solov'yov, Andrey V ^a,c   Greiner, Walter ^a  

^a GOETHE UNIVERSITY   (Germany)

^b ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^c IOFFE INSTITUTE   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; IONIZATION; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

IONIC STRUCTURE;

MAGNESIUM PRINTING PLATES;

EID: 4244215409     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (59)

1. W.D. Knight, K. Clemenger, W.A. de Heer, W.A. Saunders, M.Y. Chou, and M.L. Cohen, Phys. Rev. Lett. 52, 2141 (1984).
2. C. Bréchignac, Ph. Cahuzac, F. Carlier, and J. Leygnier, Chem. Phys. Lett. 164, 433 (1989).
3. K. Selby, M. Vollmer, J. Masui, V. Kresin, W.A. de Heer, and W.D. Knight, Phys. Rev. B 40, 5417 (1989).
4. K. Selby, V. Kresin, J. Masui, M. Vollmer, W.A. de Heer, A. Scheidemann, and W.D. Knight, Phys. Rev. B 43, 4565 (1991).
5. A. Herlert, S. Krückeberg, L. Schweikhard, M. Vogel, and C. Walther, Phys. Scr. T80, 200 (1999)
6. Metal Clusters, edited by W. Ekardt (Wiley, New York, 1999).
7. Atomic Clusters and Nanoparticles, Proceedings of the Les Houches Session LXXIII, Les Houches, 2000, edited by C. Guet, P. Hobza, F. Spiegelman, and F. David (EDP Sciences, Springer-Verlag, Berlin, 2001).
8. W.A. de Heer, Rev. Mod. Phys. 65, 611 (1993).
9. M. Brack, Rev. Mod. Phys. 65, 677 (1993).
10. C. Bréchignac, J.P. Connerade, J. Phys. B 27, 3795 (1994).
11. Clusters of Atoms and Molecules, Theory, Experiment and Clusters of Atoms, edited by H. Haberland, Springer Series in Chemical Physics Vol. 52 (Springer, Berlin, 1994).
12. U. Näher, S. Bjørnholm, S. Frauendorf, F. Garcias, and C. Guet, Phys. Rep. 285, 245 (1997).
13. Theory of Atomic and Molecular Clusters. With a Glimpse at Experiments, edited by J. Jellinek, Springer Series in Cluster Physics (Springer, Berlin, 1999).
14. Meal Clusters at Surfaces. Structure, Quantum Properties, Physical Chemistry, edited by K-H. Meiwes-Broer, Springer Series in Cluster Physics (Springer, Berlin, 1999).
15. J.M. Eisenberg and W. Greiner, Collective and Particle Models, Nuclear Theory Vol. 1. (North-Holland, Amsterdam, 1985).
16. A.G. Lyalin, S.K. Semenov, A.V. Solov'yov, N.A. Cherepkov, and W. Greiner, J. Phys. B 33, 3653 (2000).
17. A.G. Lyalin, S.K. Semenov, A.V. Solov'yov, N.A. Cherepkov, J.-P. Connerade, and W. Greiner, J. Chin. Chem. Soc. (Taipei) 48, 419 (2001).
18. A. Matveentsev, A. Lyalin, Il. A. Solov'yov, A. V. Solov'yov, and W. Greiner, Int. J. Mod. Phys. E 12, 81 (2003); e-print physics/0207085.
19. L.G. Gerchikov, A.V. Solov'yov, and W. Greiner, Int. J. Mod. Phys. E 8, 289 (1999).
20. L.G. Gerchikov, A.N. Ipatov, A.V. Solov'yov, and W. Greiner, J. Phys. B 33, 4905 (2000).
21. A.V. Solov'yov, in Atomic Clusters and Nanoparticles (Ref. [7]).
22. Il.A. Solov'yov, A.V. Solov'yov, and W. Greiner, Phys. Rev. A 65, 053203 (2002).
23. T.J. Lee, A.P. Rendell, and P.R. Taylor, J. Chem. Phys. 93, 6636 (1990).
24. W. Klopper and J. Almlöf, J. Chem. Phys. 99, 5167 (1993).
25. C.W. Bauschlicher, Jr. and H. Partridge, Chem. Phys. Lett. 300, 364 (1999).
26. F. Reuse, S.N. Khanna, V. de Coulon, and J. Buttet, Phys. Rev. B 39, 12 911 (1989).
27. F. Reuse, S.N. Khanna, V. de Coulon, and J. Buttet, Phys. Rev. B 41, 11 743 (1990).
28. V. Kumar and R. Car, Phys. Rev. B 44, 8243 (1991).
29. P. Delaly, P. Ballone, and J. Buttet, Phys. Rev. B 45, 3838 (1992).
30. J. Akola, K. Rytkönen, and M. Manninen, Eur. Phys. J. D 16, 21 (2001).
31. Li. Serra, P.-G. Reinhard, and E. Suraud, Eur. Phys. J. D 18, 327 (2002).
32. P.M. Acioli and J. Jellinek, Phys. Rev. Lett. 89, 213402 (2002).
33. J. Jellinek and P.H. Acioli, J. Phys. Chem. A 106, 10 919 (2002).
34. W.R. Wadt and P.J. Hey, J. Chem. Phys. 82, 284 (1985).
35. A. Köhn, F. Weigend, and R. Ahlrichs, Phys. Chem. Chem. Phys. 3, 711 (2001).
36. A. Lyalin, Il.A. Solov'yov, A.V. Solov'yov, and W. Greiner, e-print physics/0211027.
37. Th. Diederich, T. Döppner, J. Braune, J. Tiggesbäumker, and K.-H. Meiwes-Broer, Phys. Rev. Lett. 86, 4807 (2001).
38. T. Döppner, T. Diederich, J. Tiggesbäumker, and K.-H. Meiwes-Broer, Eur. Phys. J. D 16, 13 (2001).
39. O.C. Thomas, W. Zheng, S. Xu, and K.H. Bowen, Phys. Rev. Lett. 89, 213403 (2002).
40. M. J. Frisch et al., computer code GAUSSIAN 98, Rev. A. 9 (Gaussian Inc., Pittsburgh, PA, 1998).
41. James B. Foresman, and Æleen Frisch, Exploring Chemistry with Electronic Structure Methods (Gaussian Inc., Pittsburgh, PA, 1996).
42. A.D. Becke, Phys. Rev. A 38, 3098 (1988).
43. C. Lee, W. Yang, and R.G. Parr, Phys. Rev. B 37, 785 (1988).
44. R.G. Parr, and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
45. J.P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche, and H. Eschrig (Akademie Verlag, Berlin, 1991), p. 11.
46. K. Burke, J.P. Perdew, and Y. Wang, in Electronic Density Functional Theory: Recent Progress and New Directions, edited by J.F. Dobson, G. Vignale, and M.P. Das (Plenum, New York, 1998).
47. C. Møiller and M.S. Plesset, Phys. Rev. 46, 618 (1934).
48. K.P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
49. J.L. Martins, J. Buttet, and R. Car, Phys. Rev. B 31, 1804 (1985).
50. V. Bonačić-Koutecký, P. Fantucci, and J. Koutecký, Phys. Rev. B 37, 4369 (1988).
51. N.W. Ashcroft and N.D. Mermin, Solid State Physics (Saunders College Publishing, New York, 1976).
52. C. Kittel, Introduction to Solid State Physics, 7th ed. (J. Wiley, New York, 1996).
53. S.M. Reimann, M. Koskinen, H. Häkkinen, P.E. Lindelof, and M. Manninen, Phys. Rev. B 56, 12 147 (1997).
54. J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
55. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
56. J.P. Perdew, Phys. Rev. B 33, 8822 (1986).
57. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
58. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396(E) (1997).
59. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396(E) (1997).