화학공학소재연구정보센터
Chemical Physics Letters, Vol.408, No.4-6, 403-408, 2005
Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
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. (c) 2005 Elsevier B.V. All rights reserved.