Skip to main content
SpringerLink
Log in

Electron Correlation and Reduced Density Matrices

  • Chapter
  • First Online:
Correlation and Localization

Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 203))

Abstract

Electron correlation in atoms and molecules finds a very natural expression in terms of the reduced density matrices within the formalism of second quantization. The fundamental relations of this theory lead here to a discussion of the correlation effects and their connexion with two properties of the group functions frequently studied by Prof. Ede Kapuy: strong orthogonality and the concept of independence. The other aim of this paper is to examine the direct expression of the correlation effects in terms of reduced density matrices.

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. Kapuy E (1958) Acta Physica Acad Sci Hung 9:237

    Google Scholar 

  2. Kapuy E (1960) Acta Physica Hung 12:185

    Google Scholar 

  3. Kapuy E (1961) Acta Physica Hung 13:345

    Article  CAS  Google Scholar 

  4. Kapuy E (1961) Acta Physica Hung 13:461

    CAS  Google Scholar 

  5. Kapuy E (1962) Acta Physica Hung 15:177

    Google Scholar 

  6. Nakatsuji H (1976) Phys Rev A 14:41

    Article  CAS  Google Scholar 

  7. Cohen l, Frishberg C (1976) Phys Rev A13:927

    Article  Google Scholar 

  8. Harriman JE (1979) Phys Rev A 19:1893

    Article  Google Scholar 

  9. Valdemoro C (1987) In: Erdahl R., Smith V. (eds) Density Matrices and Density Functionals (Proceedings of the AJ. Coleman Symposium, Kingston, Ontario, 1985) Reidel, Dordrecht p 275

    Google Scholar 

  10. Valdemoro C (1992) Phys Rev A 45:4462

    Article  Google Scholar 

  11. Colmenero F, Pérez del Valle C, Valdemoro C (1993) Phys Rev A 47:971

    Article  CAS  Google Scholar 

  12. Colmenero F, Valdemoro C (1993) Phys Rev A 47:979

    Article  CAS  Google Scholar 

  13. Colmenero F, Valdemoro C (1994) Int J Quantum Chem 51:369

    Article  CAS  Google Scholar 

  14. Valdemoro C, Tel LM, Pérez-Romero E (1997) Adv Quantum Chem 28:33

    Article  CAS  Google Scholar 

  15. Nakatsuji H, Yasuda K (1996) Phys Rev Letts 76:1039

    Article  CAS  Google Scholar 

  16. Yasuda K, Nakatsuji H (1997) Phys Rev A 56:2648

    Article  CAS  Google Scholar 

  17. Mazziotti D (1998) Phys Rev A 57:4219

    Article  CAS  Google Scholar 

  18. Mazziotti D (1998) Chem Phys Let 289:419

    Article  CAS  Google Scholar 

  19. Valdemoro C, Tel LM, Pérez-Romero E (1999) Adv Quantum Chem 31:37

    Article  Google Scholar 

  20. Valdemoro C, Tel LM, Pérez-Romero E (to be published)

    Google Scholar 

  21. Surján PR (1989) Second Quantized Approach to Quantum Chemistry, Springer, Heidelberg, p 142

    Google Scholar 

  22. Surján PR (1990) Croatica Chemica Acta 62:579

    Google Scholar 

  23. Hurley AC, Lennard-Jones J, Pople JA (1953) Proc Roy Soc (London) A220:446

    CAS  Google Scholar 

  24. Parr RG, Ellison FO, and Lykos PG (1956) J Chem Phys 24:1106

    Article  CAS  Google Scholar 

  25. Parks JM, Parr RG (1958) J Chem Phys 28:335

    Article  CAS  Google Scholar 

  26. McWeeny R (1959) Proc Roy Soc (London) A253:242

    CAS  Google Scholar 

  27. Arai T (1960) J Chem Phys 33:95

    Article  CAS  Google Scholar 

  28. McWeeny R (1960) Rev Mod Physics 32:35

    Google Scholar 

  29. Löwdin PO (1961) J Chem Phys 35:78

    Article  Google Scholar 

  30. Allen TL, Shull H (1961) J Chem Phys 35:1644

    Article  CAS  Google Scholar 

  31. Kapuy E (1962) Phys Letts 1:205

    Article  Google Scholar 

  32. Kapuy E (1966) J Chem Phys 44:956

    Article  CAS  Google Scholar 

  33. Kapuy E (1966) Theoretica Chimica Acta 6:281

    Article  CAS  Google Scholar 

  34. Kapuy E (1967) The Physical Society of Japan (eds). Applicability of almost strongly orthogonal geminals in many-electron wave function. Series in Selected Papers in Physics, Theory of Molecular Structure II

    Google Scholar 

  35. Kapuy E (1969) Acta Physica Hung 27:179

    Google Scholar 

  36. Kapuy E (1969) Chem Phys Letts 3:43

    Article  CAS  Google Scholar 

  37. McWeeny R (1997) Conference at the Second European Workshop in Quantums Systems in Chemistry and Physics. Oxford

    Google Scholar 

  38. Valdemoro C (1985) Phys Rev A 31:2123

    Article  CAS  Google Scholar 

  39. Valdemoro C (1996) Int J Quantum Chem 60:131

    Article  CAS  Google Scholar 

  40. Karwowski J, Valdemoro C, Laín L (1989) Phys Rev A 39:4967

    Article  CAS  Google Scholar 

  41. Valdemoro C, de Lara-Castells MP, Bochicchio R, Pérez-Romero E (1997) Int J Quantum Chem 65:107

    Article  CAS  Google Scholar 

  42. Clementi E, Roetti C (1974) At Data Nucl Data Tables 14:428

    Article  Google Scholar 

  43. Tel L, Pérez-Romero E, Valdemoro C (in preparation)

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Instituto de Matemáticas y Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 123, E-28006, Madrid, Spain

    Carmela Valdemoro

Authors
  1. Carmela Valdemoro
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Department of Theoretical Chemistry, Eötvös University, Budapest, Pazmany Peter setany 1/A, H-1117, Budapest, Hungary

    Péter R. Surján

Rights and permissions

Reprints and permissions

Copyright information

© 1999 Springer Verlag Berlin Heidelberg

About this chapter

Cite this chapter

Valdemoro, C. (1999). Electron Correlation and Reduced Density Matrices. In: Surján, P.R., et al. Correlation and Localization. Topics in Current Chemistry, vol 203. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-48972-X_10

Download citation

  • DOI: https://doi.org/10.1007/3-540-48972-X_10

  • Published:

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-65754-5

  • Online ISBN: 978-3-540-48972-6

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation