Tight-Binding Molecular Dynamics Study of Heteronuclear Systems: Application to SimGen Clusters

Journal of Cluster Science

Volumn 10, Issue 4, 1999, Pages 549-556

  Andriotis, Antonis N ^a   Menon, Madhu ^b   Froudakis, George E ^c  

^a INSTITUTE OF ELECTRONIC STRUCTURE AND LASER   (Greece)

^b UNIVERSITY OF KENTUCKY   (United States)

^c UNIVERSITY OF CRETE   (Greece)

Author keywords

Clusters; Compound heteronuclear clusters; SimGen clusters

Indexed keywords

EID: 0033455977     PISSN: 10407278     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1021909225614     Document Type: Article

References (21)

1. M. Menon and R. E. Allen (1986). Phys. Rev. B 33, 7099.
2. M. Menon and R. E. Allen (1988). Phys. Rev. B 38, 6196.
3. M. Menon, N. Lathiotakis, and A. N. Andriotis (1997). Phys. Rev. B 56, 1412.
4. N. N. Lathiotakis, A. N. Andriotis, M. Menon, and J. Connolly (1996). J. Chem. Phys. 104, 992.
5. M. Menon, J. Connolly, N. N. Lathiotakis, and A. N. Andriotis (1994). Phys. Rev. B 50, 8903.
6. N. N. Lathiotakis, A. N. Andriotis, M. Menon, and J. Connolly (1995). Europhys. Lett. 29, 135.
7. A. N. Andriotis, N. Lathiotakis, and M. Menon (1996). Chem. Phys. Lett. 260, 15.
8. A. N. Andriotis, N. Lathiotakis, and M. Menon (1996). Europhys. Lett. 36, 37.
9. A. N. Andriotis and M. Menon (1998). Phys. Rev. B 57, 10069.
10. A. N. Andriotis, M. Menon, G. Froudakis, Z. Fthenakis, and J. E. Lowther (1998). Chem. Phys. Lett. 292, 487.
11. K. Raghavachari (1986). J. Chem. Phys. 84, 5672.
12. P. J. Bruna, S. D. Peyerimhoff, and R. J. Buenker (1980). J. Chem. Phys. 72, 5437.
13. P. W. Deutsch, L. A. Curtiss, and J. P. Blaudeau (1997). Chem. Phys. Lett. 270, 413.
14. J. C. Slater and G. F. Koster (1954). Phys. Rev. 94, 1498.
15. A. M. Mazzone (1997). Phys. Rev. B 56, 15926.
16. J. A. Pople, M.. Head-Gordon, and K. Raghavachari (1987). J. Chem. Phys. 87, 5968.
17. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian 94, Rev. D.4 (Gaussian, Inc., Pittsburgh, PA, 1995).
18. R. S. Mulliken (1955). J. Chem. Phys. 23, 1833.
19. W. Harrison, Electronic Structure and Properties of Solids (W. H. Freeman, San Francisco, 1980).
20. I. A. Papadogonas, A. N. Andriotis, and E. N. Economou (1997). Phys. Rev. B 55, 10760.
21. W. M. C. Foulkes (1993). Phys. Rev. B 48, 14216.