Skip to main content
Log in

On the calculation of expectation values and transition matrix elements by coupled cluster method

  • Published:
Theoretica chimica acta Aims and scope Submit manuscript

Summary

Finite order expressions are derived for expectation values and transition matrix elements within the framework of the coupled cluster method.

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. Cizeck J (1966) J Chem Phys 45:4256; Cizeck J (1969) Advan Chem Phys 14:35

    Google Scholar 

  2. Bartlett RJ, Purvis GD (1978) Int J Quantum Chem 14:561; Bartlett RJ, Purvis GD (1980) Phys Scr 21:251

    Google Scholar 

  3. Bartlett RJ (1981) Ann Rev Phys Chem 32:359; Chaudhuri R, Mukherjee D, Prasad MD (1989) Separability problem in general many-electron systems. In: Mukherjee D (ed) Aspects of manybody effects in molecules and extended systems. (Lect Notes Chem, Vol 50) Springer, Berlin Heidelberg New York, p 3

    Google Scholar 

  4. Pople JA, Krishnan R, Seegar R (1978) Int J Quantum Chem S14:545; Pople JA, Brinkly JS, Seegar R (1976) Int J Quantum Chem S10:1

    Google Scholar 

  5. Mukherjee D, Moitra RK, Mukhopadhyay A (1975) Mol Phys 30:1861; idem (1977) ibid 33:995; Mukherjee D (1986) Int J Quantum Chem S20:409

    Google Scholar 

  6. Lindgren I (978) Int J Quantum Chem S12:33

    Google Scholar 

  7. Mukherjee D, Pal S (1988) Adv Quantum Chem 20:291; Lindgren I, Mukherjee D (1987) Phys Repts 151:93; Kaldor U (1991) Theor Chim Acta 80:427; Mukhopadhyay D, Mikhopadhyay S, Chaudhuri R, Mukherjee D (1991) Theor Chim Acta 80:441

    Google Scholar 

  8. Kummel HG (1983) Int J Quantum Chem 24:79

    Google Scholar 

  9. Greeten J. Oddershedde J (1986) J Chem Phys 85:2112; Greeten J, Oddershedde J, Scuseria G (1987) Int J Quantum Chem 21:475

    Google Scholar 

  10. Noga J, Urban M (1988) Theor Chim Acta 73:291

    Google Scholar 

  11. Monkhorst HJ (1977) Int J Quantum Chem S11:421; Pal S (1984) Theor Chim Acta 66:151; Pal S (1989) Phys Rev A39:2712; Pal S (1989) Phys Rev (1990) A42:4385

    Google Scholar 

  12. Salter EA, Trucks GW, Bartlett RJ (1989) J Chem Phys 90:1572

    Google Scholar 

  13. Scheiner AC, Scusera GE, Rice JE, LEE TJ, Schaeffer HF (1987) J Chem Phys 87:5361

    Google Scholar 

  14. Fink M (1974) Nucl Phys A221:163; Pal S, Prasad MD, Mukherjee D (1983) Theor Chim Acta 62:523

    Google Scholar 

  15. Monkhorst HJ (1977) Int J Quantum Chem S11:421; Mukherjee D, Mukherjee PK (1979) Chem Phys 37:325; Mukhopadhyay SK, Sinha D, Prasad MD, Mukherjee D (1985) Chem Phys Lett 117:437

    Google Scholar 

  16. Emrich K (1981) Nucl Phys A351:379, 397

    Google Scholar 

  17. Koch H, Jorgensen P (1990) J Chem Phys 93:3333

    Google Scholar 

  18. Arponen J (1983) Ann Phys 151:311; Bishop RF (1991) Theor Chim Acta 80:95

    Google Scholar 

  19. Bishop RF, Arponen J, Pajanne E (1989) Dynamic variational principles and Extended coupled cluster techniques. In: Mukherjee D (ed) Aspects of many-body effects in molecules and extended systems. (Lect Notes Chem, Vol 50) Springer, Berlin Heidelberg New York, p 79

    Google Scholar 

  20. Jeziorski B, Monkhorst HJ (1981) Phys Rev A24:1668; Meissner L, Bartlett RJ (1989) J Chem Phys 91:4800

    Google Scholar 

  21. Mukhopadhyay D, Mukherjee D (1991) Chem Phys Lett 177:441

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

About this article

Cite this article

Prasad, M.D. On the calculation of expectation values and transition matrix elements by coupled cluster method. Theoret. Chim. Acta 88, 383–388 (1994). https://doi.org/10.1007/BF01113556

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01113556

Key words

Navigation