Artículo
Lazzeretti, P.; Malagoli, M.; Zanasi, R.; Caputo, M.C.; Ferraro, M.B. "Conditions for invariance of molecular magnetic properties in Landau gauge transformations" (1995) The Journal of Chemical Physics. 103(5):1852-1859
Consulte la política de Acceso Abierto del editor
Abstract:
General constraints for invariance of magnetic properties in a gauge transformation are analyzed. Sum rules relative to the transformation from Coulomb to Landau gauges are examined in particular. Numerical tests for hydrogen fluoride, water, ammonia, and methane molecule have been carried out in large basis set calculations, using random-phase approximation. The conditions for invariance are severe conditions for accuracy of variational molecular wave functions. © 1995 American Institute of Physics.
Registro:
| Documento: | Artículo |
| Título: | Conditions for invariance of molecular magnetic properties in Landau gauge transformations |
| Autor: | Lazzeretti, P.; Malagoli, M.; Zanasi, R.; Caputo, M.C.; Ferraro, M.B. |
| Filiación: | Dipartimento di Chimica, Università degli Studi di Modena, Via Campi 183, 41100 Modena, Italy Departamento de Física, Universidad de Buenos Aires, Ciudad Universitaria. Pab. I, (1428) Buenos Aires, Argentina |
| Año: | 1995 |
| Volumen: | 103 |
| Número: | 5 |
| Página de inicio: | 1852 |
| Página de fin: | 1859 |
| DOI: | http://dx.doi.org/10.1063/1.469709 |
| Título revista: | The Journal of Chemical Physics |
| ISSN: | 00219606 |
| PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00219606_v103_n5_p1852_Lazzeretti.pdf |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v103_n5_p1852_Lazzeretti |
Referencias:
- Epstein, S.T., (1974) The Variation Method in Quantum Chemistry, , (Academic, New York)
- Lazzeretti, P., Zanasi, R., (1985) Phys. Rev. A, 32, p. 2607
- Lazzeretti, P., Malagoli, M., Zanasi, R., (1991) Chem. Phys., 150, p. 173
- Lazzeretti, P., (1987) Adv. Chem. Phys., 75, p. 507
- Ferraro, M.B., Herr, T.E., Lazzeretti, P., Malagoli, M., Zanasi, R., (1992) Phys. Rev. A, 45, p. 6272
- Ferraro, M.B., Herr, T.E., Lazzeretti, P., Malagoli, M., Zanasi, R., (1993) J. Chem. Phys., 98, p. 4030
- Wolinski, K., Hinton, J.F., Pulay, P., (1993) Nuclear Magnetic Shielding and Molecular Structure, 386, p. 576. , NATO ASI Series C, edited by J. A. Tossell (Kluwer, Dordrecht)
- Jameson, C.J., (1994) Spec. Period. Reps. Nucl. Magn. Reson, 23, p. 47
- Landau, L.D., Lifshitz, E.M., (1979) The Classical Theory of Fields, , 4th revised English ed. (Pergamon, Oxford)
- Lazzeretti, P., (1993) Theor. Chim. Acta, 87, p. 59
Citas:
---------- APA ----------
Lazzeretti, P., Malagoli, M., Zanasi, R., Caputo, M.C. & Ferraro, M.B. (1995) . Conditions for invariance of molecular magnetic properties in Landau gauge transformations. The Journal of Chemical Physics, 103(5), 1852-1859.http://dx.doi.org/10.1063/1.469709
---------- CHICAGO ----------
Lazzeretti, P., Malagoli, M., Zanasi, R., Caputo, M.C., Ferraro, M.B. "Conditions for invariance of molecular magnetic properties in Landau gauge transformations" . The Journal of Chemical Physics 103, no. 5 (1995) : 1852-1859.http://dx.doi.org/10.1063/1.469709
---------- MLA ----------
Lazzeretti, P., Malagoli, M., Zanasi, R., Caputo, M.C., Ferraro, M.B. "Conditions for invariance of molecular magnetic properties in Landau gauge transformations" . The Journal of Chemical Physics, vol. 103, no. 5, 1995, pp. 1852-1859.http://dx.doi.org/10.1063/1.469709
---------- VANCOUVER ----------
Lazzeretti, P., Malagoli, M., Zanasi, R., Caputo, M.C., Ferraro, M.B. Conditions for invariance of molecular magnetic properties in Landau gauge transformations. 1995;103(5):1852-1859.http://dx.doi.org/10.1063/1.469709
