Theoretica chimica acta

, Volume 51, Issue 2, pp 97–106 | Cite as

Magnetic susceptibilities of acetylene and ethylene using frost-model wavefunctions withp-type Gaussians

  • Jonathan A. Yoffe
Original Investigations


There are degeneracy problems involved in the calculation of magnetic susceptibilities from Frost model wavefunctions built up from mixeds- andp-type Gaussians. Various methods are suggested to alleviate the difficulties and they are used to compute the susceptibilities of C2H2 and C2H4.

Key words

Magnetic susceptibilities Frost model p-type Gaussians 


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Copyright information

© Springer-Verlag 1979

Authors and Affiliations

  • Jonathan A. Yoffe
    • 1
  1. 1.Department of MathematicsUniversity of NottinghamUniversity ParkEngland

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