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Theoretica chimica acta

, Volume 79, Issue 5, pp 361–372 | Cite as

Some investigations of the MP2-R12 method

  • Michael J. Bearpark
  • Nicholas C. Handy
  • Roger D. Amos
  • Paul E. Maslen
Article

Summary

The MP2-R12 method was introduced by Kutzelnigg and Klopper to overcome the problem caused by truncation of the one electron basis set in correlation energy calculations at the Møller-Plesset second order level of approximation. Here, we have evaluated the integrals required by their simplest scheme using the Rys-quadrature procedure. Results are presented for Ne, H2O, and HF using largespdf gaussian basis sets.

Key words

Electron correlation Basis set limit 

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Copyright information

© Springer-Verlag 1991

Authors and Affiliations

  • Michael J. Bearpark
    • 1
  • Nicholas C. Handy
    • 1
  • Roger D. Amos
    • 1
  • Paul E. Maslen
    • 1
  1. 1.University Chemical LaboratoryCambridgeUnited Kingdom

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