Some mathematical properties of gauge transformations with respect to the Coulomb gauge: Variational analysis of an energy functional
✍ Scribed by M. P. Béccar Varela; M. C. Caputo; M. B. Ferraro; P. Lazzeretti; M. C. Mariani; D. Rial
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 431 KB
- Volume
- 77
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
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.