Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation

G. I. PAGOLA; M.C. CAPUTO; M.B. FERRARO; P. LAZZERETTI

CHEMICAL PHYSICS LETTERS

ELSEVIER SCIENCE BV

Año: 2005 vol. 408 p. 403 - 408

0009-2614

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