Journal of Structural Chemistry

, Volume 39, Issue 3, pp 437–441 | Cite as

Comparison of the variational and bound perturbation theories in dipole polarizability calculations of molecular complexes

  • Yu. F. Pedash
  • A. Yu. Semenov
Proceedings Of The 13th Seminar On Intermolecular Interactions And Conformations Of Molecules


For a model molecular complex, analytical expressions are obtained for the coefficients A3 and A6 of dipole polarizability expansion in a reciprocal power series of intermolecular distances in terms of the variational (VPT) and bound (BPT) Hartree-Fock perturbation theories. It is shown that A3(VPT)<A3(BPT), A6(VPT)<A6(BPT) for weak electron-electron interactions and A3(BPT)<A3(VPT), A6(BPT)<A6(VPT) for strong electron-electron interactions.


Intermolecular Distance Matrix Stability Electron Repulsion Electron Correlation Effect Electron Repulsion Integral 
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Copyright information

© Plenum Publishing Corporation 1998

Authors and Affiliations

  • Yu. F. Pedash
  • A. Yu. Semenov

There are no affiliations available

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