Skip to main content
SpringerLink
Log in

Electronic Structure of Atoms, Molecules, and Clusters: Hartree-Fock and Beyond

  • Conference paper
Advanced Topics in Theoretical Chemical Physics

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 12))

  • 293 Accesses

Abstract

The 1/Z expansion will first be used to discuss the scaling properties of the ground-state energy of heavy (non-relativistic) neutral atoms with atomic number Z. The question will be addressed as to what order in Z electron correlation first enters the expansion. The density functional theory (DFT) invoked above will be utilized then to treat, but now inevitably more approximately, the correlation energy in a variety of molecules. Finally, recent studies at Hartree-Fock level on almost spherical B and C cages will be reviewed. For buckminsterfullerene, the role of electron correlation will then be assessed using the Hubbard Hamiltonian, as in the study of Flocké et al.

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

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 169.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 219.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 219.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Hylleraas, E. Z Physik. 1930; 65: 209.

    Article  CAS  Google Scholar 

  2. Layzer, D. Annals of Physics. 1959; 8: 271.

    Article  CAS  Google Scholar 

  3. Cohen, M. Adv. in Atomic and Molecular Physics. 1988; 25: 195.

    Article  CAS  Google Scholar 

  4. March, N.H. and White, R.J. J. Phys. 1972; B5: 466.

    CAS  Google Scholar 

  5. Thomas, L.H. Proc. Camb. Phil. Soc. 1926; 23: 542.

    Article  Google Scholar 

  6. Fermi, E. Z. Physik. 1928; 48: 73.

    Article  CAS  Google Scholar 

  7. Dirac, P.A.M. Proc. Camb. Phil. Soc. 1930; 26: 376.

    Article  CAS  Google Scholar 

  8. Grassi, A., Sparta, N., Lombardo, G.M., Piccitto, G., Pucci, R. and March, N.H. Mol. Phys. 1994; 83: 1047.

    Article  Google Scholar 

  9. Amovilli, C., and March, N.H. Chem. Phys. Letts. 2001; 347: 459.

    Article  CAS  Google Scholar 

  10. Amovilli, C., Howard, I.A., Klein, D.J. and March, N.H. Phys. Rev. 2002; A66: 03210.

    Google Scholar 

  11. Flocke, N., Schmalz, T.G. and Klein. D. J. J. Chem. Phys. 2000; 112: 8233.

    Article  CAS  Google Scholar 

  12. Tal, Y. and Levy, M. Phys. Rev. 1981; A23: 408.

    Article  CAS  Google Scholar 

  13. Milne, E.A. Proc. Camb. Phil. Soc. 1927; 23: 794.

    Article  CAS  Google Scholar 

  14. Scott, J.M.C. Phil. Mag. 1952; 43: 859.

    Google Scholar 

  15. Ballinger, R.A. and March, N.H. Phil. Mag. 1955; 46: 246.

    Google Scholar 

  16. March, N.H. and Plaskett, J.S. Proc. Roy. Soc. 1956; A235: 419.

    Article  CAS  Google Scholar 

  17. March, N.H. and Parr, R.G. Proc. Nat. Acad. Sci. USA. 1980; 77: 6285.

    Article  CAS  Google Scholar 

  18. March, N.H. and Wind, P. Molecular Phys. 1992; 77: 791.

    Article  CAS  Google Scholar 

  19. Clementi, E.J. Chem. Phys. 1963; 39: 175.

    CAS  Google Scholar 

  20. Colle, R. and Salvetti, O. Theor. Chim. Acta 1975; 37: 329.

    Article  CAS  Google Scholar 

  21. Alonso, J.A. and Cordero, N.A. J. Phys. B 1996, 29: 1627.

    Article  Google Scholar 

  22. Kais, S., Sung, S.M. and Herschbach, D.R. Int. J. Quant. Chem. 1994; 49: 657.

    Article  CAS  Google Scholar 

  23. Gell-Mann, M. and Brueckner, K.A. Phys. Rev. 1957; 106: 364.

    Article  CAS  Google Scholar 

  24. Grassi, A., Lombardo, G.M., March, N.H. and Pucci, R. Mol. Phys. 1996; 87: 553.

    Article  CAS  Google Scholar 

  25. Hollister, C. and Sinanoglu, O. J. Am. Chem. Soc. 1965; 88: 13.

    Article  Google Scholar 

  26. Grassi, A., Lombardo, G., Pucci, R. and March N.H. Mol. Phys. 1994; 81: 1265.

    Article  Google Scholar 

  27. Cremer, D.J. Comput. Chem. 1982; 3: 165.

    Article  CAS  Google Scholar 

  28. See ref. [23] for relevant studies.

    Google Scholar 

  29. March, N.H. Proc. Camb. Phil. Soc. 1952; 48: 665.

    Article  CAS  Google Scholar 

  30. Clougherty, D.P. and Zhu, X. Phys. Rev. 1997; A56: 632.

    Article  CAS  Google Scholar 

  31. Despa, F. Phys. Rev. 1998; B57: 7335.

    Article  CAS  Google Scholar 

  32. Siringo, F., Piccitto, G. and Pucci, R. Phys. Rev. 1992; A46: 4048.

    Article  CAS  Google Scholar 

  33. Boustani, I. Phys. Rev. 1997; B55: 16426.

    Article  CAS  Google Scholar 

  34. Boustani, I., Rubio, A. and Alonso, J.A. Chem. Phys. Lett. 1999; 311: 21.

    Article  CAS  Google Scholar 

  35. Boustani, I. Chem. Phys. Lett. 1995; 240: 135.

    Article  CAS  Google Scholar 

  36. Boustani, I. J. Solid State Chem. 1997; 133: 182.

    Article  CAS  Google Scholar 

  37. Manolopoulos, D.E. and Fowler, P.W. J. Chem. Phys. 1992; 96: 7603.

    CAS  Google Scholar 

  38. Schmalz, T.G., Seitz, W.A., Klein, D.J. and Hite, G.E. J. Am. Chem. Soc. 1988; 110: 113.

    Article  Google Scholar 

  39. Ruedenberg, K. J. Chem. Phys. 1977; 66: 375.

    Article  CAS  Google Scholar 

  40. See also March, N.H. J. Chem. Phys. 1977; 67: 4618.

    Google Scholar 

  41. March, N.H. and Parr, R.G. Proc. Nat. Acad. Sci. USA 1980; 77: 6285.

    Article  CAS  Google Scholar 

  42. Pucci, R. and March, N.H. J. Chem. Phys. 1983; 78: 2466.

    Google Scholar 

  43. Lieb, E.H., Solovej, J.P. and Yngvason, J. Phys. Rev. Lett. 1992; 69: 749.

    Article  CAS  Google Scholar 

  44. See also Lehmann, H. and March, N.H. Pure and Applied Chemistry 1995; 67: 457.

    Google Scholar 

  45. Freeman, G.R. and March, N.H. J. Phys. Chem. 1996; 100: 4331.

    Article  CAS  Google Scholar 

  46. Marconi, M. B. and March, N.H. Int. J. Quantum Chem. 1981; 20: 693.

    Article  CAS  Google Scholar 

  47. Vallarta, M.S. and Rosen, N. Phys. Rev. 1932; 41: 708.

    Article  CAS  Google Scholar 

  48. Senatore, G. and March, N.H. Phys. Rev. 1985; A32: 3277.

    Article  CAS  Google Scholar 

  49. Doyle, H.T. Adv. in Atomic and Molecular Physics 1969; 5: 1.

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Physics, University of Antwerp (RUCA), Groenenborgerlaan 171, B-2020, Antwerpen, Belgium

    N. H. March

  2. Oxford University, Oxford, England

    N. H. March

Authors
  1. N. H. March
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Laboratoire de Chimie Physique, Université Pierre et Marie Curie, Paris, France

    Jean Maruani (Director of Research at CNRS, President of CMOA) (Director of Research at CNRS, President of CMOA)

  2. Laboratoire de Photophysique Moléculaire, Université Paris-Sud, Orsay, France

    Roland Lefebvre

  3. Department of Quantum Chemistry, University of Uppsala, Sweden

    Erkki J. Brändas

Rights and permissions

Reprints and permissions

Copyright information

© 2003 Springer Science+Business Media Dordrecht

About this paper

Cite this paper

March, N.H. (2003). Electronic Structure of Atoms, Molecules, and Clusters: Hartree-Fock and Beyond. In: Maruani, J., Lefebvre, R., Brändas, E.J. (eds) Advanced Topics in Theoretical Chemical Physics. Progress in Theoretical Chemistry and Physics, vol 12. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-0635-3_4

Download citation

  • DOI: https://doi.org/10.1007/978-94-017-0635-3_4

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-90-481-6401-1

  • Online ISBN: 978-94-017-0635-3

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation