Artículo
Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. "Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation" (2005) Chemical Physics Letters. 408(4-6):403-408
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Abstract:
The conditions for invariance in a gauge translation of the fourth-rank molecular hypermagnetisability tensor, introduced to rationalize the cubic response of a molecule in the presence of an external magnetic field, are discussed in terms of quantum mechanical sum rules. Eight relationships, connecting electric dipole polarisability, polarisability of magnetisability, and other third- and fourth-rank tensors that can be regarded as intrinsic molecular properties tout court, have been obtained. Numerical tests have been carried out to determine the Hartree-Fock limit for the sum-rules in a set of small molecules. © 2005 Elsevier B.V. All rights reserved.
Registro:
| Documento: | Artículo |
| Título: | Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation |
| Autor: | Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. |
| Filiación: | Departamento de FIÍsica, Facultad de Ciencias Exactas Y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires, Argentina Dipartimento di Chimica dell'Università degli Studi di Modena e Reggio, Emilia, Via Campi 183, 41100 Modena, Italy |
| Palabras clave: | Calculations; Eigenvalues and eigenfunctions; Gages; Magnetic fields; Mathematical models; Polarization; Quantum theory; Tensors; Energy invariant; Gauge translation; Hypermagnetisability; Sum rules; Molecules |
| Año: | 2005 |
| Volumen: | 408 |
| Número: | 4-6 |
| Página de inicio: | 403 |
| Página de fin: | 408 |
| DOI: | http://dx.doi.org/10.1016/j.cplett.2005.04.055 |
| Título revista: | Chemical Physics Letters |
| Título revista abreviado: | Chem. Phys. Lett. |
| ISSN: | 00092614 |
| CODEN: | CHPLB |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v408_n4-6_p403_Pagola |
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Citas:
---------- APA ----------
Pagola, G.I., Caputo, M.C., Ferraro, M.B. & Lazzeretti, P. (2005) . Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation. Chemical Physics Letters, 408(4-6), 403-408.http://dx.doi.org/10.1016/j.cplett.2005.04.055
---------- CHICAGO ----------
Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P. "Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation" . Chemical Physics Letters 408, no. 4-6 (2005) : 403-408.http://dx.doi.org/10.1016/j.cplett.2005.04.055
---------- MLA ----------
Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P. "Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation" . Chemical Physics Letters, vol. 408, no. 4-6, 2005, pp. 403-408.http://dx.doi.org/10.1016/j.cplett.2005.04.055
---------- VANCOUVER ----------
Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P. Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation. Chem. Phys. Lett. 2005;408(4-6):403-408.http://dx.doi.org/10.1016/j.cplett.2005.04.055
