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- Publisher
- Springer Journals
- Copyright
- Copyright
- Subject
- Engineering; Theoretical and Applied Mechanics; Classical and Continuum Physics; Engineering Fluid Dynamics; Computational Intelligence
- ISSN
- 0567-7718
- eISSN
- 1614-3116
- DOI
- 10.1007/BF02486689
- Publisher site
- See Article on Publisher Site
Abstract
The Gordon-Kim method of calculating the interatomic potentials is modified with corrections to the exchange and dispersion interactions, and the interionic potentials in alkali-halide crystals are calculated from Roothaan-Hartree-Fock ionic wavefunctions. The lattice constants, cohesive energies and elastic constants of NaCl, NaF, NaBr, KCl, KF, KBr, RbCl, RbF and RbBr crystals are evaluated using the calculated interionic potentials. The agreement of the results with the experimental data is good.
Journal
Acta Mechanica Sinica – Springer Journals
Published: Aug 12, 2006