Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
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, connec...
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Formato: | Capítulo de libro |
Lenguaje: | Inglés |
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2005
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Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
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100 | 1 | |a Pagola, G.I. | |
245 | 1 | 0 | |a Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation |
260 | |c 2005 | ||
270 | 1 | 0 | |m Lazzeretti, P.; Dipartimento di Chimica dell'Università degli Studi di Modena e Reggio, Emilia, Via Campi 183, 41100 Modena, Italy; email: lazzeret@unimo.it |
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504 | |a Lazzeretti, P., Electric and magnetic properties of molecules (2003) Handbook of Molecular Physics and Quantum Chemistry, 3, pp. 53-145. , S. Wilson John Wiley & Sons, Ltd. Chichester | ||
504 | |a Lazzeretti, P., Zanasi, R., (1985) Phys. Rev. a, 32, p. 2607 | ||
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504 | |a Soncini, A., Lazzeretti, P., Bakken, V., Helgaker, T., (2004) J. Chem. Phys., 120, p. 3142 | ||
504 | |a Lipiński, J., (2004) Chem. Phys. Lett., 394, p. 397 | ||
504 | |a Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P., (2004) J. Chem. Phys., 120, p. 9556 | ||
504 | |a Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P., (2004) Chem. Phys. Lett., 400, p. 133 | ||
504 | |a Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P., (2005) J. Chem. Phys., 122, p. 074318 | ||
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504 | |a Caputo, M.C., Lazzeretti, P., (2002) J. Chem. Phys., 116, p. 9611 | ||
504 | |a Caputo, M.C., Lazzeretti, P., (2003) Chem. Phys., 288, p. 281 | ||
504 | |a Helgaker, T., (2001) Dalton, An Electronic Structure Program, Release 1.2, , Dalton | ||
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506 | |2 openaire |e Política editorial | ||
520 | 3 | |a 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. |l eng | |
536 | |a Detalles de la financiación: Universidad de Buenos Aires, UBACYT X-035 | ||
536 | |a Detalles de la financiación: Ministero dell’Istruzione, dell’Università e della Ricerca, MIUR | ||
536 | |a Detalles de la financiación: Financial support to this work from Proyecto del Programa de Cooperación Argentino-Italiana SECYT-MAE, código IT/PA03-EXII/082, from the Italian MURST (Ministero dell’Università e della Ricerca Scientifica e Tecnologica), via 40%, 60%, and FIRB funds, from the University of Buenos Aires (UBACYT X-035), and from the Argentinian CONICET, is gratefully acknowledged. | ||
593 | |a Departamento de FIÍsica, Facultad de Ciencias Exactas Y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires, Argentina | ||
593 | |a Dipartimento di Chimica dell'Università degli Studi di Modena e Reggio, Emilia, Via Campi 183, 41100 Modena, Italy | ||
690 | 1 | 0 | |a CALCULATIONS |
690 | 1 | 0 | |a EIGENVALUES AND EIGENFUNCTIONS |
690 | 1 | 0 | |a GAGES |
690 | 1 | 0 | |a MAGNETIC FIELDS |
690 | 1 | 0 | |a MATHEMATICAL MODELS |
690 | 1 | 0 | |a POLARIZATION |
690 | 1 | 0 | |a QUANTUM THEORY |
690 | 1 | 0 | |a TENSORS |
690 | 1 | 0 | |a ENERGY INVARIANT |
690 | 1 | 0 | |a GAUGE TRANSLATION |
690 | 1 | 0 | |a HYPERMAGNETISABILITY |
690 | 1 | 0 | |a SUM RULES |
690 | 1 | 0 | |a MOLECULES |
700 | 1 | |a Caputo, M.C. | |
700 | 1 | |a Ferraro, Marta Beatriz | |
700 | 1 | |a Lazzeretti, P. | |
773 | 0 | |d 2005 |g v. 408 |h pp. 403-408 |k n. 4-6 |p Chem. Phys. Lett. |x 00092614 |w (AR-BaUEN)CENRE-69 |t Chemical Physics Letters | |
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