Transferable Empirical Nonbonded Potential Functions

  • D. E. Williams
Part of the Topics in Current Physics book series (TCPHY, volume 26)

Abstract

Empirical nonbonded atom parameters can be developed for dispersion, repulsion, and Madelung’s (Coulombic) lattice potential energies of a few reference organic crystals, whose crystal structures and experimental lattice energies are known. A review is given of the relevant mathematical procedures (Ewald’s accelerated convergence of lattice sums, force-fit and direct-parameter-fit methods).

Keywords

Entropy Benzene Radium Anhydride Macromolecule 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1981

Authors and Affiliations

  • D. E. Williams

There are no affiliations available

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