Density-functional approach to electron dynamics: stable simulation under a self-consistent field

Physical Review B - Condensed Matter and Materials Physics

Volumn 59, Issue 4, 1999, Pages 2579-2586

  Sugino, Osamu ^a   Miyamoto, Yoshiyuki ^a  

^a NEC CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000707347     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.2579     Document Type: Article

References (37)

1. See, for example, R N. Zare, Science279, 1875 (1998).
2. See, for example, J. Shah, Ultrafast Spectroscopy of Semiconductors and Semiconductor Nanostructures (Springer, Berlin, 1996).
3. E. Runge and E K U. Gross, Phys. Rev. Lett.52, 997 (1984).
4. A. Nakano, R K. Kalia, and P. Vashishta, Phys. Rev. B44, 8121 (1991).
5. U. Saalmann and R. Schmidt, Phys. Rev. Lett.80, 3213 (1998).
6. K. Yabana and G F. Bertsch, Phys. Rev. B54, 4484 (1996).
7. G. Vignale and W. Kohn, Phys. Rev. Lett.77, 2037 (1996).
8. G. Vignale, C A. Ullrich, and S. Conti, Phys. Rev. Lett.79, 4878 (1997).
9. E.K.U. Gross, C A. Ullrich, and U J. Grossmann, in Density Functional Theory, edited by E. K. U. Gross and R. M. Dreizler (Plenum Press, New York, 1995), p. 149.
10. J. B. Delos and W R. Thorson, Phys. Rev. A6, 720 (1972).
11. O. V. Prezhdo and P J. Rossky, J. Chem. Phys.107, 825 (1997).
12. J. C. Tully and R K. Preston, J. Chem. Phys.55, 217 (1971).
13. O. V. Prezhodo and P J. Rossky, J. Chem. Phys.107, 825 (1997).
14. U. Muller and G. Stock, J. Chem. Phys.107, 6230 (1997).
15. See also the pioneering work by A. Selloni, P. Carnevali, R. Car, and M. Parrinello, Phys. Rev. Lett.59, 823 (1987).
16. R. Car and M. Parrinello, Phys. Rev. Lett.55, 2471 (1985).
17. F. Tassone, F. Mauri, and R. Car, Phys. Rev. B50, 10 561 (1994).
18. M. Suzuki, J. Phys. Soc. Jpn.61, L3015 (1992);
19. M. Suzuki and T. Yamauchi, J. Math. Phys.34, 4892 (1993).
20. M. Iri and Y. Fujino, Common Sense for Numerical Calculation (Kyoritsu, Tokyo, 1985), p. 116 (in Japanese).
21. See also, H. Akima, J. Assoc. Comput. Mach.17, 589 (1970).
22. M. D. Feit, J A. Fleck, and A. Steiger, J. Comput. Phys.47, 412 (1982);
23. M. D. Feit and J A. Fleck, J. Chem. Phys.78, 301 (1982).
24. R. Kosloff, J. Phys. Chem.92, 2087 (1988).
25. T. Iitaka, Phys. Rev. E49, 4684 (1994).
26. H. Yoshida, Phys. Lett. A150, 262 (1990).
27. M. Suzuki, Proc. Jpn. Acad., Ser. B: Phys. Biol. Sci.69, 161 (1993), and references therein.
28. K. Takahashi and K. Ikeda, J. Chem. Phys.99, 8680 (1993).
29. L. Kleinmann and D M. Bylander, Phys. Rev. Lett.48, 1425 (1982).
30. J. Theilhaber, Phys. Rev. B46, 12 990 (1992).
31. Alternatively, this can be computed by taking a numerical differentiation.
32. W. E. Pickett, S G. Louie, and M L. Cohen, Phys. Rev. B17, 815 (1977).
33. N. Troullier and J L. Martins, Solid State Commun.74, 613 (1990);
34. N. TroullierJ L. MartinsPhys. Rev. B43, 1993 (1990).
35. M. Saito, O. Sugino, and A. Oshiyama, Phys. Rev. B46, 2606 (1992).
36. S. Rutz, H. Ruppe, E. Schreiber, and L. Wöste, Z. Phys. D40, 25 (1996);
37. H. Ruppe, S. Rutz, E. Schreiber, and L. Wöste, Chem. Phys. Lett.257, 356 (1996).