Skip to main content
SpringerLink
Log in
Book cover

Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method pp 219–234Cite as

Studies of 1s electrons

  • Chapter

  • 148 Accesses

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 38))

Abstract

Ionization of one 1s electron is treated in the same way as ionization of one valence electron. As discussed in Sec.H. 1. the ionization energy IP α1s is therefore the difference of two total energies

$$IP_{1s}^\alpha = E\left( {q_{1s}^\alpha - 1} \right) - E\left( {q_{1s}^\alpha } \right)$$

As an expression for the total energy E we use here the sum of the expressions (D.38) + (F.21) + (F.22).

This is a preview of subscription content, 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   39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   54.99
Price excludes VAT (USA)
  • Compact, lightweight 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

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. L. Åsbrink, Phys. Scripta 28, 394 (1983)

    Article  Google Scholar 

  2. see also: L. Åsbrink, TRITA-FYS-1001, Physics Department, The Royal Institute of Technology, Stockholm (1980).

    Google Scholar 

  3. K. Siegbahn, C. Nordling, A. Fahlman, R. Nordberg, K. Hamrin, J. Hedman, G. Johansson, T. Bergmark, S.-E. Karlsson, I. Lindgren, B. Lindberg, ESCA — Atomic, molecular and solid state structure studied by means of electron spectroscopy, Almqvist and Wixell, Uppsala (1967).

    Google Scholar 

  4. K. Siegbahn, C. Nordling, G. Johansson, J. Hedman, P.-F. Hedén, K. Hamrin, U. Gelius, T. Bergmark, L.-O. Werme, R. Manne and Y. Baer, ESCA applied to free molecules, North-Holland, Amsterdam (1969).

    Google Scholar 

  5. H. Siegbahn and L. Karlsson, in Handbuch der Physik, Vol. XXXI: Corpuscles and Radiation in Matter I, W. Mehlhorn (ed.), Springer, Berlin (1982), p.215.

    Google Scholar 

  6. L. Åsbrink, C. Fridh and E. Lindholm, QCPE No.393 (1980).

    Google Scholar 

  7. U. Gelius, E. Basilier, S. Svensson, T. Bergmark and K. Siegbahn, J. Electron Spectrosc. 2, 405 (1974).

    Google Scholar 

  8. A.A. Bakke, H.W. Chen and W.L. Jolly, J. Electron Spectrosc. 20, 333 (1980).

    Article  CAS  Google Scholar 

  9. D.P. Chong, Can. J. Chem. 58, 1687 (1980).

    Article  CAS  Google Scholar 

  10. D.P. Chong, J. Mol. Sci. 2, 55 (1982).

    CAS  Google Scholar 

  11. G.R. Wight and C.E. Brion, J. Electron Spectrosc. 4, 347 (1974).

    Article  CAS  Google Scholar 

  12. A. P. Hitchcock and C.E. Brion, J. Electron Spectrosc. 10, 317 (1977).

    Article  CAS  Google Scholar 

  13. M. Tronc, G.C. King and F.H. Read, J. Phys. B: Atom. Molec. Phys. 12, 137 (1979).

    Article  CAS  Google Scholar 

  14. J.C. Slater, Quantum Theory of Atomic Structure, Vol. I, McGraw-Hill, New York (1960), Table 15-10.

    Google Scholar 

  15. A.P. Hitchcock and C.E. Brion, J. Electron Spectrosc. 18, 1 (1980).

    Article  CAS  Google Scholar 

  16. D.A. Shaw, G.C. King, D. Cvejanovic and F.H. Read, J. Phys. B: At. Mol. Phys. 17, 2091 (1984).

    Article  CAS  Google Scholar 

  17. D.A. Shaw, G.C. King, F.H. Read and D. Cvejanovic, J. Phys. B: At. Mol. Phys. 15, 1785 (1982).

    Article  CAS  Google Scholar 

  18. A. P. Hitchcock, S. Beaulieu, T. Steel, J. Stöhr and F. Sette, J. Chem. Phys. 81, 3927 (1984).

    Article  Google Scholar 

  19. G.R. Wight and C.E. Brion, J. Electron Spectrosc. 3, 191 (1974).

    Article  CAS  Google Scholar 

  20. H. Petersen, A. Bianconi, F.C. Brown and R.S. Bachrach, Chem. Phys. Letters 58, 263 (1978).

    Article  CAS  Google Scholar 

  21. J. Nordgren, H. Ågren, L. Selander, C. Nordling and K. Siegbahn, Phys. Scripta 16, 280 (1977).

    Article  CAS  Google Scholar 

  22. A. Barth and J. Schirmer, J. Phys. B: Atom. Molec. Phys. 18, 867 (1985).

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Physics Department, Royal Institute of Technology, S-100 44, Stockholm, Sweden

    E. Lindholm & L. Åsbrink

Authors
  1. E. Lindholm
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. L. Åsbrink
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

Copyright information

© 1985 Springer-Verlag Berlin Heidelberg

About this chapter

Cite this chapter

Lindholm, E., Åsbrink, L. (1985). Studies of 1s electrons. In: Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method. Lecture Notes in Chemistry, vol 38. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-45595-7_11

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-45595-7_11

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-15659-8

  • Online ISBN: 978-3-642-45595-7

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation