Electric multipole polarisabilities of nuclearmagnetic shielding of a molecule in the presence of externalfields—a uniform magnetic and a non-uniform electricfield—calculated via the approach of continuous transformationof the origin of the current density, are shown to beinvariant in a translation of the gauge of the vector potential.However, multipole polarisabilities depend upon the originof the coordinate system for multipole higher than dipole,because of the intrinsic origin dependence of the related operators.
Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density / M. B., Ferraro; G. I., Pagola; M. C., Caputo; Lazzeretti, Paolo. - In: THEORETICAL CHEMISTRY ACCOUNTS. - ISSN 1432-881X. - STAMPA. - 118:(2007), pp. 863-868. [10.1007/s00214-007-0359-6]
Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density
LAZZERETTI, Paolo
2007
Abstract
Electric multipole polarisabilities of nuclearmagnetic shielding of a molecule in the presence of externalfields—a uniform magnetic and a non-uniform electricfield—calculated via the approach of continuous transformationof the origin of the current density, are shown to beinvariant in a translation of the gauge of the vector potential.However, multipole polarisabilities depend upon the originof the coordinate system for multipole higher than dipole,because of the intrinsic origin dependence of the related operators.
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