Calculation of the strain derivatives of the static dielectric constant within the framework of the exchange charge model using different short range potential forms
A program has been developed to calculate up to third order volume and pressure derivatives of the static dielectric constant within the framework of the exchange charge model and the simple shell model. Salts with NaCl and CsCl structures are considered using seven different forms for the overlap p...
| Autores principales: | , , |
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| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00978485_v17_n3_p309_Batana |
| Aporte de: |
| Sumario: | A program has been developed to calculate up to third order volume and pressure derivatives of the static dielectric constant within the framework of the exchange charge model and the simple shell model. Salts with NaCl and CsCl structures are considered using seven different forms for the overlap potential. The higher order derivatives of the short-range potential with respect to the interionic distance, overlap potential parameters, force constants and their volume derivatives are also calculated with this program, among other quantities of interest. © 1993. |
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