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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Detalles Bibliográficos
Autor principal: Pagola, G.I
Otros Autores: Caputo, M.C, Ferraro, Marta Beatriz, Lazzeretti, P.
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: 2005
Acceso en línea:Registro en Scopus
DOI
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Registro en la Biblioteca Digital
Aporte de:Registro referencial: Solicitar el recurso aquí
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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 
504 |a Epstein, S.T., (1974) The Variation Method in Quantum Chemistry, , Academic Press New York 
504 |a Condon, E.U., (1937) Rev. Mod. Phys., 9, p. 432 
504 |a Lazzeretti, P., (1987) Adv. Chem. Phys., 75, p. 507 
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 
504 |a Hirschfelder, J.O., Byers-Brown, W., Epstein, S.T., (1964) Adv. Quantum Chem., 1, p. 255 
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 
504 |a Žaucer, M.T., Ažman, A., (1977) Phys. Rev. a, 16, p. 475 
504 |a Soncini, A., Fowler, P.W., (2004) Chem. Phys. Lett., 400, p. 213 
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 
504 |a Dunning Jr., T.H., (1989) J. Chem. Phys., 90, p. 1007 
504 |a Woon, D.E., Dunning Jr., T.H., (1995) J. Chem. Phys., 103, p. 4572 
504 |a Mohr, P.J., Taylor, B.N., (2000) Rev. Mod. Phys., 72, p. 351 
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. 
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