Some mathematical properties of gauge transformations with respect to the Coulomb gauge: Variational analysis of an energy functional

Mpb, Varela; Caputo, Mc; Ferraro, Mb; Lazzeretti, Paolo; Mariani, Mc; Rial, D.

As gauge invariance of computed magnetic properties, usually partitioned into diamagnetic and paramagnetic terms, is not achieved within the algebraic approximation, unless ad hoc techniques are adopted, a general variational treatment is analyzed, attempting to minimize the term more difficult to evaluate accurately, i.e., the paramagnetic contribution to magnetic susceptibility, by means of a gauge transformation. It is shown that an absolute minimum in a variational sense cannot be determined a priori. However, a local minimum of the paramagnetic contribution to magnetic susceptibility can be arrived at by employing general gauge transformations of polynomial form.

Some mathematical properties of gauge transformations with respect to the Coulomb gauge: Variational analysis of an energy functional / Mpb, Varela; Mc, Caputo; Mb, Ferraro; Lazzeretti, Paolo; Mc, Mariani; D., Rial. - In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - ISSN 0020-7608. - STAMPA. - 77(2000), pp. 599-606.

Data di pubblicazione:	2000
Titolo:	Some mathematical properties of gauge transformations with respect to the Coulomb gauge: Variational analysis of an energy functional
Autore/i:	Mpb, Varela; Mc, Caputo; Mb, Ferraro; Lazzeretti, Paolo; Mc, Mariani; D., Rial
Autore/i UNIMORE:	MPB Varela MC Caputo MB Ferraro LAZZERETTI, Paolo MC Mariani D. Rial mostra contributor esterni nascondi contributor esterni
Rivista:	INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume:	77
Pagina iniziale:	599
Pagina finale:	606
Codice identificativo ISI:	WOS:000085706000001
Codice identificativo Scopus:	2-s2.0-0346686696
Citazione:	Some mathematical properties of gauge transformations with respect to the Coulomb gauge: Variational analysis of an energy functional / Mpb, Varela; Mc, Caputo; Mb, Ferraro; Lazzeretti, Paolo; Mc, Mariani; D., Rial. - In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - ISSN 0020-7608. - STAMPA. - 77(2000), pp. 599-606.
Tipologia	Articolo su rivista

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http://hdl.handle.net/11380/307027

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