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RESEARCH PRODUCT
Nonadiabatic orientation, toroidal current, and induced magnetic field in BeO molecules.
Luis Serrano-andrésTamar SeidemanIngo Barthsubject
PhotoexcitationToroidMolecular electronic statesMolecule-photon collisionsMagnetic momentChemistryConfiguration interactionsExcited statesGeneral Physics and AstronomyElectronic structureMolecular orientationMagnetic fieldUNESCO::FÍSICA::Química físicaPhotoexcitationCoupled cluster calculationsBeryllium compoundsExcited stateMagnetic momentsPhysical and Theoretical ChemistryAtomic physics:FÍSICA::Química física [UNESCO]Beryllium compounds ; Configuration interactions ; Coupled cluster calculations ; Excited states ; Magnetic moments ; Molecular electronic states ; Molecular orientation ; Molecule-photon collisions ; PhotoexcitationRing currentExcitationdescription
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
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2008-01-01 | The Journal of chemical physics |