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Abstract:

Electric multipole polarisabilities of nuclear magnetic shielding of a molecule in the presence of external fields-a uniform magnetic and a non-uniform electric field-calculated via the approach of continuous transformation of the origin of the current density, are shown to be invariant in a translation of the gauge of the vector potential. However, multipole polarisabilities depend upon the origin of the coordinate system for multipole higher than dipole, because of the intrinsic origin dependence of the related operators. © 2007 Springer-Verlag.

Registro:

Documento: Artículo
Título:Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density
Autor:Lazzeretti, P.; Ferraro, M.B.; Pagola, G.I.; Caputo, M.C.
Filiación:Dipartimento di Chimica, Università degli Studi di Modena, Via Campi 183, 41100 Modena, Italy
Departamento de Física, Facultad de Ciencias Exactas y Naturales, Ciudad Universitaria, Pab. I, 1428 Buenos Aires, Argentina
Palabras clave:Electric quadrupole polarisability of nuclear magnetic shielding; Invariance of magnetic shielding multipole polarisabilities in a gauge translation; Origin dependence of magnetic shielding multipole polarisabilities
Año:2007
Volumen:118
Número:5-6
Página de inicio:863
Página de fin:868
DOI: http://dx.doi.org/10.1007/s00214-007-0359-6
Título revista:Theoretical Chemistry Accounts
Título revista abreviado:Theor. Chem. Acc.
ISSN:1432881X
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_1432881X_v118_n5-6_p863_Lazzeretti

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Citas:

---------- APA ----------
Lazzeretti, P., Ferraro, M.B., Pagola, G.I. & Caputo, M.C. (2007) . Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density. Theoretical Chemistry Accounts, 118(5-6), 863-868.
http://dx.doi.org/10.1007/s00214-007-0359-6
---------- CHICAGO ----------
Lazzeretti, P., Ferraro, M.B., Pagola, G.I., Caputo, M.C. "Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density" . Theoretical Chemistry Accounts 118, no. 5-6 (2007) : 863-868.
http://dx.doi.org/10.1007/s00214-007-0359-6
---------- MLA ----------
Lazzeretti, P., Ferraro, M.B., Pagola, G.I., Caputo, M.C. "Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density" . Theoretical Chemistry Accounts, vol. 118, no. 5-6, 2007, pp. 863-868.
http://dx.doi.org/10.1007/s00214-007-0359-6
---------- VANCOUVER ----------
Lazzeretti, P., Ferraro, M.B., Pagola, G.I., Caputo, M.C. Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density. Theor. Chem. Acc. 2007;118(5-6):863-868.
http://dx.doi.org/10.1007/s00214-007-0359-6