Approaches to the calculation of magnetizabilityand nuclear magnetic shieldings in a molecule, based oncontinuous translation of the origin of the magnetic fieldinducedelectronic current density, are reviewed. The connectionsamong apparently unrelated philosophies (Geertsenpropagator methods, Keith-Bader continuous set of gaugetransformations, and analytical reformulation by Lazzeretti,Malagoli, and Zanasi) are emphasized, and a unitary theoreticalscheme is given.

Methods of continuous translation of the origin of the current density revisited / Lazzeretti, Paolo. - In: THEORETICAL CHEMISTRY ACCOUNTS. - ISSN 1432-881X. - STAMPA. - 131:(2012), pp. 1222-1-1222-12. [10.1007/s00214-012-1222-y]

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

LAZZERETTI, Paolo
2012

Abstract

Approaches to the calculation of magnetizabilityand nuclear magnetic shieldings in a molecule, based oncontinuous translation of the origin of the magnetic fieldinducedelectronic current density, are reviewed. The connectionsamong apparently unrelated philosophies (Geertsenpropagator methods, Keith-Bader continuous set of gaugetransformations, and analytical reformulation by Lazzeretti,Malagoli, and Zanasi) are emphasized, and a unitary theoreticalscheme is given.
2012
131
1222-1
1222-12
Methods of continuous translation of the origin of the current density revisited / Lazzeretti, Paolo. - In: THEORETICAL CHEMISTRY ACCOUNTS. - ISSN 1432-881X. - STAMPA. - 131:(2012), pp. 1222-1-1222-12. [10.1007/s00214-012-1222-y]
Lazzeretti, Paolo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/728249
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