Nonadiabatic orientation, toroidal current, and induced magnetic field in BeO molecules.

It is predicted that oriented BeO molecules would give rise to unprecedentedly strong, unidirectional electric ring current and an associated magnetic field upon excitation by a right or left circularly polarized laser pulse into the first excited degenerate singlet state. The strong toroidal electric ring current of this state is dominated by the ring current of the 1π± orbital about the molecular axis. Our predictions are based on the analysis of the orbital composition of the states involved and are substantiated by high level electronic structure calculations and wavepacket simulations of the laser-driven orientation and excitation dynamics. Luis.Serrano@uv.es

Erratum: “Nonadiabatic orientation, toroidal current, and induced magnetic field in BeO molecules” [J. Chem. Phys. 129, 164303 (2008)]

Quantum simulations of toroidal electric ring currents and magnetic fields in linear molecules induced by circularly polarized laser pulses

Circularly polarized laser pulses may excite state selective unidirectional toroidal electric ring currents around the axis of oriented linear molecules. These in turn induce state selective magnetic fields. Quantum simulations for AlCl show that these effects are about one or even more than three orders of magnitudes larger than those which may be prepared in oriented planar molecules such as Mg-porphyrin, by means of either circularly polarized laser pulses, or by traditional magnetic fields, respectively.