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Methods of continuous translation of the origin of the current density revisited

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An Erratum to this article was published on 30 December 2012

Abstract

Approaches to the calculation of magnetizability and nuclear magnetic shieldings in a molecule, based on continuous translation of the origin of the magnetic field-induced electronic current density, are reviewed. The connections among apparently unrelated philosophies (Geertsen propagator methods, Keith-Bader continuous set of gauge transformations, and analytical reformulation by Lazzeretti, Malagoli, and Zanasi) are emphasized, and a unitary theoretical scheme is given.

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Notes

  1. This is the first reference in which the reinterpretation of the GIAO acronym for gauge-including-atomic-orbitals has been proposed, see footnote 6, p. 5047

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Authors and Affiliations

  1. Dipartimento di Chimica dell’Università degli Studi di Modena e Reggio Emilia, Via Campi 183, 41124, Modena, Italy

    P. Lazzeretti

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  1. P. Lazzeretti
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Correspondence to P. Lazzeretti.

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Dedicated to Professor Marco Antonio Chaer Nascimento and published as part of the special collection of articles celebrating his 65th birthday.

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Lazzeretti, P. Methods of continuous translation of the origin of the current density revisited. Theor Chem Acc 131, 1222 (2012). https://doi.org/10.1007/s00214-012-1222-y

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