Skip to main content
SpringerLink
Log in

Cluster expansion of the wavefunction

  • Published:
Theoretica chimica acta Aims and scope Submit manuscript

Abstract

Numerical examples illustrate the SAC and SAC-CI results for correlatioin energies compared to those from full CI calculations of Bauschlicher and Taylor.

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. Sinanoglu O (1964) Advan Chem Phys 6:315; Primas H (1965) In: Sinanoglu O (ed) Modern quantum chemistry. Academic Press, New York, p 45

    Google Scholar 

  2. Čížek J (1966) J Chem Phys 45:4256; Čížek J, Paldus J (1971) Int J Quantum Chem 5:357; Paldus J, Čížek J, Shavitt I (1972) Phys Rev A5:50

    Google Scholar 

  3. Kutzelnigg W (1977) In: Schaefer H F (ed) Modern theoretical chemistry, vol 3. Plenum Press, New York, p 129

    Google Scholar 

  4. Mukherjee D, Moitra RK, Mukhopadhyay A (1975) Mol Phys 30:1861; (1975) 33:955; Adnan S S, Bhattacharyya S, Mukherjee D (1982) Chem Phys Lett 85:204; Haque M A, Mukherjee D (1984) J Chem Phys 80:5058

    Google Scholar 

  5. Paldus J, Čížek J, Saute M, Laforgue J (1978) Phys Rev A17:805; Saute M, Paldus J, Čížek J (1979) Int J Quantum Chem 15:463

    Google Scholar 

  6. Lindgren I (1978) Int J Quantum Chem S12:33

    Google Scholar 

  7. Nakatsuji H, Hirao K (1978) J Chem Phys 68:2053, 4279; Hirao K, Nakatsuji H (1981) Chem Phys Lett 79:292

    Google Scholar 

  8. Hirao K, Nakatsuji H (1978) J Chem Phys 69:4533, 4548

    Google Scholar 

  9. Nakatsuji H (1979) Chem Phys Lett 67:334

    Google Scholar 

  10. Bauschlicher C W, Langhoff S R, Taylor P R, Partridge H (1986) Chem Phys Lett 126:436; Bauschlicher C W, Langhoff S R, Taylor P R, Handy N C, Knowles P J (1986) J Chem Phys, in press; Bauschlicher C W, Taylor P R (1986) J Chem Phys 85:2779

    Google Scholar 

  11. Saxe P, Schaefer H F, Handy N C (1981) Chem Phys Lett 79:202

    Google Scholar 

  12. Harrison R J, Handy N C (1983) Chem Phys Lett 96:386

    Google Scholar 

  13. Bartlett R J, Sekino H, Purvis G D (1983) Chem Phys Lett 98:66

    Google Scholar 

  14. Hirao K, Hatano Y (1983) Chem Phys Lett 100:519; Hirao K, Hatano Y (1984) Chem Phys Lett 111:533

    Google Scholar 

  15. Laidig W D, Bartlett R J (1984) Chem Phys Lett 104:424

    Google Scholar 

  16. Brown F B, Shavitt I, Shepard R (1984) Chem Phys Lett 105:363

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, College of General Education, Nagoya University, Nagoya, Japan

    K. Hirao

Authors
  1. K. Hirao
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Hirao, K. Cluster expansion of the wavefunction. Theoret. Chim. Acta 71, 231–236 (1987). https://doi.org/10.1007/BF00526418

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00526418

Key words

Search

Navigation