Si 2p core-level shifts in small molecules: A first principles study

Physica Scripta T

Volumn 66, Issue , 1996, Pages 118-120

  Pasquarello, Alfredo ^a,b   Hybertsen, Mark S ^b   Car, Roberta ^a,c  

^a INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA   (Switzerland)

^b LUCENT TECHNOLOGIES   (United States)

^c UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001490623     PISSN: 02811847     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1088/0031-8949/1996/t66/018     Document Type: Article

References (15)

1. Pedocchi, L., Russo, N. and Salahub, D. R., Phys. Rev. B47, 12992 (1993).
2. Pehlke, E. and Scheffler, M., Phys. Rev. Lett. 71, 2338 (1993).
3. Bachelet, G. B., Hamann, D. R. and Schlüter, M., Phys. Rev. B26, 4199 (1982).
4. Vanderbilt, D., Phys. Rev. B 41, 7892 (1990).
5. For a brief description see: Dal Corso, A., Baroni, S., Resta, R. and de Gironcoli, S., Phys. Rev. B47, 3588 (1993).
6. Pasquarello, A., Hybertsen, M. S. and Car, R., Phys. Rev. Lett. 74, 1024 (1995); Phys. Rev. B, 53, 10942 (1996).
7. Pasquarello, A., Hybertsen, M. S. and Car, R., Phys. Rev. Lett. 74, 1024 (1995); Phys. Rev. B, 53, 10942 (1996).
8. Pasquarello, A., Laasonen, K., Car, R., Lee, C. and Vanderbilt, D., Phys. Rev. Lett. 69, 1982 (1992); Laasonen, K., Pasquarello, A., Car, R., Lee, C. and Vanderbilt, D., Phys. Rev. B47, 10142 (1993).
9. Pasquarello, A., Laasonen, K., Car, R., Lee, C. and Vanderbilt, D., Phys. Rev. Lett. 69, 1982 (1992); Laasonen, K., Pasquarello, A., Car, R., Lee, C. and Vanderbilt, D., Phys. Rev. B47, 10142 (1993).
10. Perdew, J. P. and Zunger, A., Phys. Rev. B23, 5048 (1981).
11. Car, R. and Parrinello, M., Phys. Rev. Lett. 55, 2471 (1985).
12. Tassone, F., Mauri, F. and Car, R., Phys. Rev. B50, (1994).
13. Kuchitsu, K. (Ed.), "Londolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology", Group II, Vol. 23 (Springer-Verlag, Berlin 1995).
14. Makov, G. and Payne, M. C., Phys. Rev. B51, 4014 (1995).
15. Jolly, W. L., Bomben, K. D. and Eyermann, C. J., Atomic Data and Nuclear Data Tables 31, 433 (1984).