Ab initio Calculations for the Polarizabilities of Small Semiconductor Clusters

Physical Review Letters

Volumn 78, Issue 25, 1997, Pages 4805-4808

  Vasiliev, Igor ^a   Öğüt, Serdar ^a   Chelikowsky, James R ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARRIER CONCENTRATION; ELECTRON ENERGY LEVELS; FINITE DIFFERENCE METHOD; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; SEMICONDUCTING GALLIUM ARSENIDE; SEMICONDUCTING SILICON COMPOUNDS;

HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; POLARIZABILITY; SEMICONDUCTOR CLUSTER;

POLARIZATION;

EID: 0031162503     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.78.4805     Document Type: Article

References (35)

1. T. T. Rantala, M. I. Stockman, D. A. Jelski, and T. F. George: J. Chem. Phys., 93, 7427 (1990).
2. A. Rubio, J. A. Alonso, X. Blaze, L. C. Balbas, and S. G. Louie: Phys. Rev. Lett., 77, 247 (1996) PRLTAO77, 5442 (1996).
3. X. Blase, A. Rubio, S. G. Louie, and M. L. Cohen: Phys. Rev. B, 52, R2225 (1995).
4. J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad: Phys. Rev. B, 50, 11 355 (1994) PRBMDO.
5. J. R. Chelikowsky, N. Troullier, X. Jing, D. Dean, N. Binggeli, K. Wu, and Y. Saad: Comput. Phys. Commun., 85, 325 (1995) CPHCBZ.
6. Y. Saad, A. Stathopoulos, J. R. Chelikowsky, K. Wu, and S. Öğüt: BIT, 36, 563 (1996) BITTEL.
7. N. Troullier and J. L. Martins: Phys. Rev. B, 43, 1993 (1991).
8. L. Kleinman and D. M. Bylander: Phys. Rev. Lett., 48, 1425 (1982).
9. D. M. Ceperley and B. J. Alder: Phys. Rev. Lett., 45, 566 (1980) PRLTAO.
10. J. P. Perdew and A. Zunger: Phys. Rev. B, 23, 5048 (1981) PRBMDO.
11. X. Jing, N. Troullier, D. Dean, N. Binggeli, and J. R. Chelikowsky: Phys. Rev. B, 50, 12 234 (1994).
12. J. R. Chelikowsky, S. Öğüt, X. Jing, K. Wu, A. Stathopoulos, and Y. Saad: Mater. Res. Soc. Symp. Proc., 408, 19 (1996) MRSPDH.
13. S. Öğüt and J. R. Chelikowsky: Phys. Rev. B, 55, R4914 (1997) PRBMDO.
14. X. Jing, N. Troullier, and J. R. Chelikowsky: Solid State Commun., 96, 231 (1995).
15. H. A. Kurtz, J. J. P. Stewart, and K. M. Dieter: J. Comp. Chem., 11, 82 (1990).
16. A. A. Quong and M. R. Pederson: Phys. Rev. B, 46, 12 906 (1992) PRBMDO 46, 13 584 (1992).
17. W. Andreoni and G. Pastore: Phys. Rev. B, 41, 10 243 (1990) PRBMDO.
18. W. Andreoni: Z. Phys. D, 19, 31 (1991) ZDACE2.
19. Phys. Rev. B, 45, 4203 (1992) PRBMDO.
20. K. Raghavachari: J. Chem. Phys., 84, 5672 (1986) JCPSA6.
21. K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988).
22. J. O. Hirschfelder, C. F. Curtis, and R. B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1954), p. 950.
23. T. M. Miller and B. Bederson: Adv. At. Mol. Phys., 13, 1 (1977) AAMOA2.
24. E.A. Reinsch and W. Meyer: Phys. Rev. A, 14, 915 (1976) PLRAAN.
25. H. J. Werner and W. Meyer: Phys. Rev. A, 13, 13 (1976) PLRAAN.
26. M. F. Jarrold: Science, 252, 1085 (1991).
27. W. A. de Heer: Rev. Mod. Phys., 65, 611 (1993) RMPHAT.
28. M. Brack, Rev. Mod. Phys. 65, 677 (1993).
29. R. Schäfer, S. Schlecht, J. Woenckhaus, and J. A. Becker: Phys. Rev. Lett., 76, 471 (1996).
30. S. Schlecht, R. Schäfer, J. Woenckhaus, and J. A. Becker: Chem. Phys. Lett., 246, 315 (1995) CHPLBC.
31. M. Sakurai, S. Schlecht, J. Woenckhaus, R. Schäfer, and J. A. Becker: Z. Phys. Chem., 193, 109 (1996)ZPCLAH.
32. L. W. Wang and A. Zunger: Phys. Rev. Lett., 73, 1039 (1994)PRLTAO.
33. S. Öğüt and J. R. Chelikowsky (unpublished).
34. M. F. Jarrold and V. A. Constant: Phys. Rev. Lett., 67, 2994 (1991) PRLTAO.
35. J. M. Hunter, J. L. Fye, M. F. Jarrold, and J. E. Bowers, Phys. Rev. Lett. 73, 2063 (1994).