Artículo
Batana, A.; Cohan, N.V. "On the application of two simple approaches of 'atoms in molecules'" (1962) Proceedings of the Physical Society. 79(2):279-283
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Abstract:
Two simple approaches of the method of 'atoms in molecules' developed by Moffitt and Hurley have been applied to the lowest 1Σ u+ state of the hydrogen molecule. A trial wave function made up from a linear combination of a covalent (1s 2pσ) and an ionic structure (1s2) was used. The effect of different procedures used for selecting orbital exponents and mixing coefficients of covalent and ionic functions was studied and, in particular, the risk of using a minimization procedure was considered.
Registro:
| Documento: | Artículo |
| Título: | On the application of two simple approaches of 'atoms in molecules' |
| Autor: | Batana, A.; Cohan, N.V. |
| Filiación: | Facultad De Ciencias Exactas, Universidad De Buenos Aires, Argentina Department of Physics, University College of North Wales, Bangor, Caems. |
| Año: | 1962 |
| Volumen: | 79 |
| Número: | 2 |
| Página de inicio: | 279 |
| Página de fin: | 283 |
| DOI: | http://dx.doi.org/10.1088/0370-1328/79/2/305 |
| Título revista: | Proceedings of the Physical Society |
| ISSN: | 03701328 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03701328_v79_n2_p279_Batana |
Citas:
---------- APA ----------
Batana, A. & Cohan, N.V. (1962) . On the application of two simple approaches of 'atoms in molecules'. Proceedings of the Physical Society, 79(2), 279-283.http://dx.doi.org/10.1088/0370-1328/79/2/305
---------- CHICAGO ----------
Batana, A., Cohan, N.V. "On the application of two simple approaches of 'atoms in molecules'" . Proceedings of the Physical Society 79, no. 2 (1962) : 279-283.http://dx.doi.org/10.1088/0370-1328/79/2/305
---------- MLA ----------
Batana, A., Cohan, N.V. "On the application of two simple approaches of 'atoms in molecules'" . Proceedings of the Physical Society, vol. 79, no. 2, 1962, pp. 279-283.http://dx.doi.org/10.1088/0370-1328/79/2/305
---------- VANCOUVER ----------
Batana, A., Cohan, N.V. On the application of two simple approaches of 'atoms in molecules'. 1962;79(2):279-283.http://dx.doi.org/10.1088/0370-1328/79/2/305
