Artículo
Tschudi, C.S.; Cohan, N.V. "Valence bond treatment on the B state of the hydrogen molecule" (1961) The Journal of Chemical Physics. 34(2):401-404
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Abstract:
The potential energy of the lowest 1 ∑u + state of the hydrogen molecule is given as a function of the internuclear distance. Calculations were carried out by the valence bond method using Slater 1s and 2p atomic Orbitals. Both ionic and covalent structures were considered. The 1s orbitals of the ionic and covalent functions included a variational parameter but the orbital exponent of the 2p orbital was kept constant. It is found that the introduction of the 2p orbital into the wave function results in a considerable improvement of the dissociation energy and that further the state is essentially covalent in character rather than ionic, as previously reported.
Registro:
| Documento: | Artículo |
| Título: | Valence bond treatment on the B state of the hydrogen molecule |
| Autor: | Tschudi, C.S.; Cohan, N.V. |
| Filiación: | Facultad de Ciencias Exactas y Naturales, Universidad National de Buenos Aires, Peru 222, Buenos Aires, Argentina Department of Chemistry, Florida State University, Tallahassee, FL, United States |
| Año: | 1961 |
| Volumen: | 34 |
| Número: | 2 |
| Página de inicio: | 401 |
| Página de fin: | 404 |
| DOI: | http://dx.doi.org/10.1063/1.1700964 |
| Título revista: | The Journal of Chemical Physics |
| ISSN: | 00219606 |
| PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00219606_v34_n2_p401_Tschudi.pdf |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v34_n2_p401_Tschudi |
Citas:
---------- APA ----------
Tschudi, C.S. & Cohan, N.V. (1961) . Valence bond treatment on the B state of the hydrogen molecule. The Journal of Chemical Physics, 34(2), 401-404.http://dx.doi.org/10.1063/1.1700964
---------- CHICAGO ----------
Tschudi, C.S., Cohan, N.V. "Valence bond treatment on the B state of the hydrogen molecule" . The Journal of Chemical Physics 34, no. 2 (1961) : 401-404.http://dx.doi.org/10.1063/1.1700964
---------- MLA ----------
Tschudi, C.S., Cohan, N.V. "Valence bond treatment on the B state of the hydrogen molecule" . The Journal of Chemical Physics, vol. 34, no. 2, 1961, pp. 401-404.http://dx.doi.org/10.1063/1.1700964
---------- VANCOUVER ----------
Tschudi, C.S., Cohan, N.V. Valence bond treatment on the B state of the hydrogen molecule. 1961;34(2):401-404.http://dx.doi.org/10.1063/1.1700964
