Nonlinear response of the benzene molecule to strong magnetic fields

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

JOURNAL OF CHEMICAL PHYSICS

AMER INST PHYSICS

Año: 2005 vol. 122 p. 74318 - 74318

0021-9606

The fourth-rank hypermagnetizability tensor of the benzene molecule has been evaluated at the coupled Hartree-Fock level of accuracy within the conventional common-origin approach, adopting gaugeless basis sets of increasing size and flexibility. The degree of convergence of theoretical tensor components has been estimated allowing for two different coordinate systems. It is shown that a strong magnetic field perpendicular to the plane of the molecule causes a distortion of the electron charge density, which tends to concentrate in the region of the C-C bonds. This charge contraction has a dynamical origin, and can be interpreted as a feedback effect in terms of the classical Lorentz force acting on the electron current density.