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Theoretica chimica acta

, Volume 36, Issue 3, pp 215–220 | Cite as

Weak intermolecular interaction

IV. An application of the function counterpoise method to the calculation of the interaction energy and its components
  • Miroslav Urban
  • Pavel Hobza
Commentationes

Abstract

The function counterpoise method [1] was applied in the determination of the SCF interaction energy and its components between two molecules of hydrogen. Calculations were carried out for the rectangular and linear configurations of (H2)2 dimer.

Key word

Weak molecular interaction 

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References

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    Boys,S.F., Bernardi,F.: Mol. Phys.19, 553 (1970)Google Scholar
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    Urban,M., Hobza,P.: Theoret. Chim. Acta (Berl.)36, 207 (1975)Google Scholar
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    Johansson,A., Kollman,P., Rothenberg,S.: Theoret. Chim. Acta (Berl.)29, 167 (1973)Google Scholar
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    Kochanski,E.: J. Chem. Phys.58, 5823 (1973)Google Scholar
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    Kochanski,E., Roos,B., Siegbahn,P., Wood,M.H.: Theoret. Chim. Acta (Berl.)32, 151 (1973)Google Scholar

Copyright information

© Springer-Verlag 1975

Authors and Affiliations

  • Miroslav Urban
    • 1
  • Pavel Hobza
    • 2
  1. 1.Department of Physical ChemistryKomenský UniversityBratislavaCzechoslovakia
  2. 2.Institute of Hygiene and EpidemiologyPraha 10Czechoslovakia

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