Title of article :
Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
Author/Authors :
Pagola، نويسنده , , G.I. and Caputo، نويسنده , , M.C. and Ferraro، نويسنده , , M.B. and Lazzeretti، نويسنده , , P.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2005
Abstract :
The conditions for invariance in a gauge translation of the fourth-rank molecular hypermagnetisability tensor, introduced to rationalize the cubic response of a molecule in the presence of an external magnetic field, are discussed in terms of quantum mechanical sum rules. Eight relationships, connecting electric dipole polarisability, polarisability of magnetisability, and other third- and fourth-rank tensors that can be regarded as intrinsic molecular properties tout court, have been obtained. Numerical tests have been carried out to determine the Hartree–Fock limit for the sum-rules in a set of small molecules.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters