INVESTIGADORES
PAGOLA Gabriel Ignacio
artículos
Título:
Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density
Autor/es:
P. LAZZERETTI; M. B. FERRARO; G. I. PAGOLA; M. C. CAPUTO
Revista:
THEORETICAL CHEMISTRY ACCOUNTS
Editorial:
SPRINGER
Referencias:
Año: 2007 vol. 118 p. 863 - 868
ISSN:
1432-881X
Resumen:
Electric multipole polarisabilities of nuclear magnetic shielding of a molecule in the presence of external fieldsa uniform magnetic and a non-uniform electric fieldcalculated via the approach of continuous transformation of the origin of the current density, are shown to be invariant in a translation of the gauge of the vector potential. However, multipole polarisabilities depend upon the origin of the coordinate system for multipole higher than dipole, because of the intrinsic origin dependence of the related operators.
