Artículo
Batana, A.; Castillo, A.; Fracchia, R. "Calculation of the strain derivatives of the static dielectric constant within the framework of the exchange charge model using different short range potential forms" (1993) Computers and Chemistry. 17(3):309-318
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Abstract:
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.
Registro:
| Documento: | Artículo |
| Título: | Calculation of the strain derivatives of the static dielectric constant within the framework of the exchange charge model using different short range potential forms |
| Autor: | Batana, A.; Castillo, A.; Fracchia, R. |
| Filiación: | Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina |
| Año: | 1993 |
| Volumen: | 17 |
| Número: | 3 |
| Página de inicio: | 309 |
| Página de fin: | 318 |
| DOI: | http://dx.doi.org/10.1016/0097-8485(93)80013-4 |
| Título revista: | Computers and Chemistry |
| Título revista abreviado: | Comput. Chem. |
| ISSN: | 00978485 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00978485_v17_n3_p309_Batana |
Referencias:
- Batana, Faour, Study of the pressure dependence of dielectric properties of ionic crystals with the exchange-charge model (1987) physica status solidi (b), 140, p. K87
- Batana, Castillo, (1989) J. Phys. Chem. Sol., 50, p. 981
- Batana, Bruno, (1991) Comput. Chem., 15, p. 225
- Batana, Castillo, Fracchia, (1992) J. Phys. Chem. Sol., 53, p. 1309
- Dick, Overhauser, (1958) Phys. Rev., 112, p. 90
- Dutt, Agrawal, Shanker, (1985) J. Phys. Stat. Sol. (b), 132, p. 99
- Fontanella, Andeen, Schuele, (1972) Phys. Rev. B, 6, p. 582
- Jain, Shanker, (1978) Phys. Stat. Sol. (b), 89, p. 213
- Jain, Shanker, (1978) Physica, 94 B, p. 346
- Shanker, Gupta, Sharma, (1978) Phys. Rev. B, 18, p. 5869
- Szigeti, Compressibility and Absorption Frequency of Ionic Crystals (1950) Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 204, p. 51
Citas:
---------- APA ----------
Batana, A., Castillo, A. & Fracchia, R. (1993) . Calculation of the strain derivatives of the static dielectric constant within the framework of the exchange charge model using different short range potential forms. Computers and Chemistry, 17(3), 309-318.http://dx.doi.org/10.1016/0097-8485(93)80013-4
---------- CHICAGO ----------
Batana, A., Castillo, A., Fracchia, R. "Calculation of the strain derivatives of the static dielectric constant within the framework of the exchange charge model using different short range potential forms" . Computers and Chemistry 17, no. 3 (1993) : 309-318.http://dx.doi.org/10.1016/0097-8485(93)80013-4
---------- MLA ----------
Batana, A., Castillo, A., Fracchia, R. "Calculation of the strain derivatives of the static dielectric constant within the framework of the exchange charge model using different short range potential forms" . Computers and Chemistry, vol. 17, no. 3, 1993, pp. 309-318.http://dx.doi.org/10.1016/0097-8485(93)80013-4
---------- VANCOUVER ----------
Batana, A., Castillo, A., Fracchia, R. Calculation of the strain derivatives of the static dielectric constant within the framework of the exchange charge model using different short range potential forms. Comput. Chem. 1993;17(3):309-318.http://dx.doi.org/10.1016/0097-8485(93)80013-4
