Skip to main content
Log in

Testing one-body density functionals on a solvable model

  • Regular Article
  • Published:
The European Physical Journal D Aims and scope Submit manuscript

Abstract

There are several physically motivated density matrix functionals in the literature, built from the knowledge of the natural orbitals and the occupation numbers of the one-body reduced density matrix. With the help of the equivalent phase-space formalism, we thoroughly test some of the most popular of those functionals on a completely solvable model.

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

Access this article

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

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. C.A. Coulson, Rev. Mod. Phys. 32, 170 (1960)

    Article  MathSciNet  ADS  Google Scholar 

  2. A.J. Coleman, Rev. Mod. Phys. 35, 668 (1963)

    Article  ADS  Google Scholar 

  3. D.A. Mazziotti, Phys. Rev. Lett. 108, 263002 (2012)

    Article  ADS  Google Scholar 

  4. A.M.K. Müller, Phys. Lett. A 105, 446 (1984)

    Article  MathSciNet  ADS  Google Scholar 

  5. M.A. Buijse, E.J. Baerends, Mol. Phys. 100, 401 (2002)

    Article  ADS  Google Scholar 

  6. S. Goedecker, C.J. Umrigar, Phys. Rev. Lett. 81, 866 (1998)

    Article  ADS  Google Scholar 

  7. G. Csányi, S. Goedecker, T.A. Arias, Phys. Rev. A 65, 032510 (2002)

    Article  ADS  Google Scholar 

  8. S. Sharma, J.K. Dewhurst, N.N. Lathiotakis, E.K.U. Gross, Phys. Rev. B 78, 201103(R) (2008)

    ADS  Google Scholar 

  9. P.-O. Löwdin, H. Shull, Phys. Rev. 101, 1730 (1956)

    Article  ADS  MATH  Google Scholar 

  10. W. Kutzelnigg, Theor. Chem. Acta 1, 327 (1963)

    Article  Google Scholar 

  11. W. Heisenberg, Z. Phys. 38, 411 (1926)

    Article  ADS  MATH  Google Scholar 

  12. M. Moshinsky, Am. J. Phys. 36, 52 (1968), see also the Erratum, Am. J. Phys. 36, 763 (1968)

    Article  ADS  Google Scholar 

  13. N.H. March, A. Cabo, F. Claro, G.G.N. Angilella, Phys. Rev. A 77, 042504 (2008)

    Article  ADS  Google Scholar 

  14. P.-F. Loos, Phys. Rev. A 81, 032510 (2010)

    Article  ADS  Google Scholar 

  15. I. Nagy, J. Pipek, Phys. Rev. A 83, 034502 (2011)

    Article  ADS  Google Scholar 

  16. R. Seiringer, Ph.D. thesis, Vienna, 2000

  17. M. Srednicki, Phys. Rev. Lett. 71, 666 (1993)

    Article  MathSciNet  ADS  MATH  Google Scholar 

  18. J.P. Dahl, Can. J. Chem. 87, 784 (2009)

    Article  Google Scholar 

  19. Ph. Blanchard, J.M. Gracia-Bondía, J.C. Várilly, Int. J. Quant. Chem. 112, 1134 (2012)

    Article  Google Scholar 

  20. J.M. Gracia-Bondía, J.C. Várilly, arXiv:1011.4742

  21. K. Ebrahimi-Fard, J.M. Gracia-Bondía, J. Math. Chem. 50, 440 (2012)

    Article  MathSciNet  MATH  Google Scholar 

  22. R.J. Yáñez, A.R. Plastino, J.S. Dehesa, Eur. Phys. J. D 56, 141 (2010)

    Article  ADS  Google Scholar 

  23. P.A. Bouvrie, A.P. Majtey, A.R. Plastino, P. Sánchez-Moreno, J.S. Dehesa, Eur. Phys. J. D 66, 15 (2012)

    Article  ADS  Google Scholar 

  24. C.L. Benavides-Riveros, J.M. Gracia-Bondía, J.C. Várilly, Phys. Rev. A 86, 022525 (2012)

    Article  ADS  Google Scholar 

  25. H.G. Laguna, R.P. Sagar, J. Phys. A 45, 025307 (2012)

    Article  MathSciNet  ADS  Google Scholar 

  26. C. Amovilli, N.H. March, Phys. Rev. A 67, 022509 (2003)

    Article  ADS  Google Scholar 

  27. I. Nagy, J. Pipek, Phys. Rev. A 81, 014501 (2010)

    Article  ADS  Google Scholar 

  28. A.I. Solomon, G.H.E. Duchamp, P. Blasiak, A. Horzela, K.A. Penson, J. Phys.: Conf. Ser. 284, 012055 (2011)

    Article  ADS  Google Scholar 

  29. I. Nagy, I. Aldazabal, Phys. Rev. A 84, 032516 (2011)

    Article  ADS  Google Scholar 

  30. R.L. Frank, E.H. Lieb, R. Seiringer, H. Siedentop, Phys. Rev. A 76, 052517 (2007)

    Article  ADS  Google Scholar 

  31. E. Lieb, Phys. Rev. Lett. 46, 457 (1981)

    Article  MathSciNet  ADS  Google Scholar 

  32. M. Piris, Int. J. Quant. Chem. 106, 1093 (2006)

    Article  ADS  Google Scholar 

  33. N. Helbig, Doktorarbeit, Freie Universität, Berlin, 2006

  34. O. Gritsenko, K. Pernal, E.J. Baerends, J. Chem. Phys. 122, 204102 (2005)

    Article  ADS  Google Scholar 

  35. N.N. Lathiotakis, N. Helbig, E.K.U. Gross, Phys. Rev. B 75, 195120 (2007)

    Article  ADS  Google Scholar 

  36. N.N. Lathiotakis, N.J. Gidopoulos, N. Helbig, J. Chem. Phys. 132, 084105 (2010)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to J. C. Várilly.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Benavides-Riveros, C.L., Várilly, J.C. Testing one-body density functionals on a solvable model. Eur. Phys. J. D 66, 274 (2012). https://doi.org/10.1140/epjd/e2012-30442-4

Download citation

  • Received:

  • Revised:

  • Published:

  • DOI: https://doi.org/10.1140/epjd/e2012-30442-4

Keywords

Navigation