Skip to main content
SpringerLink
Log in

Optical absorption spectra of finite systems from a conserving Bethe-Salpeter equation approach

  • Published:
The European Physical Journal B Aims and scope Submit manuscript

Abstract

We present a method for computing optical absorption spectra by means of a Bethe-Salpeter equation approach, which is based on a conserving linear response calculation for electron-hole coherences in the presence of an external electromagnetic field. This procedure allows, in principle, for the determination of the electron-hole correlation function self-consistently with the corresponding single-particle Green function. We analyze the general approach for a “one-shot” calculation of the photoabsorption cross section of finite systems, and discuss the importance of scattering and dephasing contributions in this approach. We apply the method to the closed-shell clusters Na4, Na\(^{+}_{9}\) and Na\(^{+}_{21}\), treating one active electron per Na atom.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. G. Onida, L. Reining, A. Rubio, Rev. Mod. Phys. 74, 601 (2002)

    Article  ADS  Google Scholar 

  2. S. Albrecht, L. Reining, R. Del Sole, G. Onida, Phys. Rev. Lett. 80, 4510 (1998)

    Article  ADS  Google Scholar 

  3. L.X. Benedict, E.L. Shirley, R.B. Bohn, Phys. Rev. Lett. 80, 4514 (1998)

    Article  ADS  Google Scholar 

  4. M. Rohlfing, S.G. Louie, Phys. Rev. Lett. 81, 2312 (1998)

    Article  ADS  Google Scholar 

  5. M. Rohlfing, S.G. Louie, Phys. Rev. B 62, 4927 (2000)

    Article  ADS  Google Scholar 

  6. A. Marini, R. Del Sole, Phys. Rev. Lett. 91, 176402 (2003)

    Article  ADS  Google Scholar 

  7. K. Shindo, J. Phys. Soc. Jpn 29, 278 (1970)

    Article  ADS  Google Scholar 

  8. Th. Bornath, D. Kremp, M. Schlanges, Phys. Rev. E 60, 6382 (1999)

    Article  ADS  Google Scholar 

  9. N.E. Dahlen, R. van Leeuwen, Phys. Rev. Lett. 98, 153004 (2007)

    Article  ADS  Google Scholar 

  10. M. Puig von Friesen, C. Verdozzi, C.-O. Almbladh, Phys. Rev. Lett. 103, 176404 (2010)

    Google Scholar 

  11. N.-H. Kwong, M. Bonitz, Phys. Rev. Lett. 84, 1768 (2000)

    Article  ADS  Google Scholar 

  12. G. Khitrova, H.M. Gibbs, F. Jahnke, M. Kira, S.W. Koch, Rev. Mod. Phys. 71, 1591 (1999)

    Article  ADS  Google Scholar 

  13. R. Binder, S.W. Koch, Progr. Quantum Electr. 19, 307 (1995)

    Article  ADS  Google Scholar 

  14. G. Baym, L.P. Kadanoff, Phys. Rev. 124, 287 (1961)

    Article  MATH  MathSciNet  ADS  Google Scholar 

  15. G. Pal, Y. Pavlyukh, H.C. Schneider, W. Hübner, Eur. Phys. J. B 70, 483 (2009)

    Article  ADS  Google Scholar 

  16. G. Pal, G. Lefkidis, H.C. Schneider, W. Hübner, J. Chem. Phys. 133, 154209 (2010)

    Article  Google Scholar 

  17. S. Grabowski, M.E. Garcia, K.H. Bennemann, Phys. Rev. Lett. 72, 3969 (1994)

    Article  ADS  Google Scholar 

  18. S. Ismail-Beigi, S.G. Louie, Phys. Rev. Lett. 90, 076401 (2003)

    Article  ADS  Google Scholar 

  19. W. Ekardt, Phys. Rev. Lett. 52, 1925 (1984)

    Article  ADS  Google Scholar 

  20. W. Ekardt, Phys. Rev. B 31, 6360 (1985)

    Article  ADS  Google Scholar 

  21. S. Kümmel, M. Brack, P.-G. Reinhard, Phys. Rev. B 62, 7602 (2000)

    Article  ADS  Google Scholar 

  22. M. Brack, Rev. Mod. Phys. 65, 1993 (677)

  23. F. Alasia, L. Serra, L.R.A. Broglia, N. Van Giai, E. Lipparini, H.E. Roman, Phys. Rev. B 52, 8488 (1995)

    Article  ADS  Google Scholar 

  24. J.M. Pacheco, W.D. Schöne, Phys. Rev. Lett. 79, 4986 (1997)

    Article  ADS  Google Scholar 

  25. V. Bonačić-Koutecký, P. Fantucci, J. Koutecký, Chem. Rev. 91, 1035 (1991)

    Article  Google Scholar 

  26. G. Onida, L. Reining, R.W. Godby, R. Del Sole, W. Andreoni, Phys. Rev. Lett. 75, 818 (1995)

    Article  ADS  Google Scholar 

  27. I. Vasiliev, S. Öğüt, J.R. Chelikowsky, Phys. Rev. Lett. 82, 1919 (2001)

    Article  ADS  Google Scholar 

  28. M.A.L. Marques, A. Castro, A. Rubio, J. Chem. Phys. 115, 3006 (2001)

    Article  ADS  Google Scholar 

  29. M. Moseler, H. Häkkinen, U. Landman, Phys. Rev. Lett. 87, 053401 (2001)

    Article  ADS  Google Scholar 

  30. L.S. Cederbaum, W. Domcke, J. Schirmer, W. von Niessen, Adv. Chem. Phys. 65, 115 (1986)

    Article  Google Scholar 

  31. J. Schirmer, L.S. Cederbaum, O. Walter, Phys. Rev. A 28, 1237 (1983)

    Article  ADS  Google Scholar 

  32. Y. Pavlyukh, W. Hübner, Phys. Lett. A 327, 241 (2004)

    Article  ADS  Google Scholar 

  33. M.J. Frisch et al., GAUSSIAN 03 (Gaussian, Inc., Pittsburgh PA, 2003)

  34. P.J. Hey, W.R. Wadt, J. Chem. Phys. 82, 284 (1985)

    Article  ADS  Google Scholar 

  35. S. Ishii, K. Ohno, Y. Kawazoe, S.G. Louie, Phys. Rev. B 63, 155104 (2001)

    Article  ADS  Google Scholar 

  36. C. Wang, S. Pollack, D. Cameron, M. Kappes, Chem. Phys. Lett. 166, 26 (1990)

    Article  ADS  Google Scholar 

  37. T. Reiners, W. Orlik, C. Ellert, M. Schmidt, H. Haberland, Chem. Phys. Lett. 215, 357 (1993)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Physikalisch-Technische Bundesanstalt (PTB), Bundesallee 100, 38116, Braunschweig, Germany

    G. Pal

  2. Institut für Physik, Martin-Luther-University, Halle-Wittenberg, Heinrich-Damerow-Strasse 4, 06120, Halle, Germany

    Y. Pavlyukh

  3. Physics Department and Research Center OPTIMAS, University of Kaiserslautern, P.O. Box 3049, 67653, Kaiserslautern, Germany

    W. Hübner & H. C. Schneider

Authors
  1. G. Pal
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Y. Pavlyukh
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. W. Hübner
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. H. C. Schneider
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding authors

Correspondence to G. Pal or H. C. Schneider.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Pal, G., Pavlyukh, Y., Hübner, W. et al. Optical absorption spectra of finite systems from a conserving Bethe-Salpeter equation approach. Eur. Phys. J. B 79, 327–334 (2011). https://doi.org/10.1140/epjb/e2010-10033-1

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1140/epjb/e2010-10033-1

Keywords

Search

Navigation