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Interaction between Polymers

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Quantum Theory of Polymers as Solids

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Abstract

Murell et al.(1) have shown that if one develops a perturbation theory with overlap to be applied if the overlap integral S < 0.1, namely the two interacting molecules are at least 2.8–3.0 Å apart, then one obtains the interaction energy between two molecules A and B as a power-series expansion in the intermolecular potential U and the overlap integral S. Up to the order of U 2 S 2 the interaction energy terms are

$$\Delta {{E}^{\text{PT}}}={{E}_{\text{el st}}}+{{E}_{\text{pol}}}+{{E}_{\text{exch}}}+{{E}_{\text{ch tr}}}+{{E}_{\text{disp}}}+{{E}_{\text{exch pol}}}+{{E}_{\text{exch disp}}}$$
(6.1)

Here the terms E el st, E po1, and E disp are of zeroth order in overlap and have the same form as in zero-overlap perturbation theory. The contribution of order US 2 leads to the exchange energy E exch and the energy contributions of order U 2 S 2 may be subdivided into the charge transfer energy E ch tr and the exchange polarization and exchange dispersion terms due to the exchange. Since the latter two terms are much smaller than the others, one can neglect them in the calculations.

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Authors and Affiliations

  1. University of Erlangen-Nuremberg, Erlangen-Waterloo, Federal Republic of Germany

    János J. Ladik

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  1. János J. Ladik
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© 1988 Plenum Press, New York

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Ladik, J.J. (1988). Interaction between Polymers. In: Quantum Theory of Polymers as Solids. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5233-4_7

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  • DOI: https://doi.org/10.1007/978-1-4684-5233-4_7

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-5235-8

  • Online ISBN: 978-1-4684-5233-4

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