A gauge transformation of the transverse Coulomb vector potential is studied to define a new vector potential with anon-vanishing component in the direction of magnetic field. In this longitudinal gauge the diamagnetic contribution tomagnetic susceptibility is an isotropic tensor, whereas the diagonal and average diamagnetic contributions to nuclearmagnetic shielding are the same as in the Coulomb gauge. The paramagnetic contributions to magnetic propertiesundergo gauge transformation, in such a way that total niagnetic tensors are left invariant, provided that a series ofsum rules involving the virial tensor operator is satisfied.

Longitudinal vector potentials for molecular magnetic properties / Lazzeretti, Paolo. - In: JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. - ISSN 0166-1280. - STAMPA. - 336:(1995), pp. 1-5.

Longitudinal vector potentials for molecular magnetic properties

LAZZERETTI, Paolo
1995-01-01

Abstract

A gauge transformation of the transverse Coulomb vector potential is studied to define a new vector potential with anon-vanishing component in the direction of magnetic field. In this longitudinal gauge the diamagnetic contribution tomagnetic susceptibility is an isotropic tensor, whereas the diagonal and average diamagnetic contributions to nuclearmagnetic shielding are the same as in the Coulomb gauge. The paramagnetic contributions to magnetic propertiesundergo gauge transformation, in such a way that total niagnetic tensors are left invariant, provided that a series ofsum rules involving the virial tensor operator is satisfied.
336
1
5
Longitudinal vector potentials for molecular magnetic properties / Lazzeretti, Paolo. - In: JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. - ISSN 0166-1280. - STAMPA. - 336:(1995), pp. 1-5.
Lazzeretti, Paolo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/454456
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