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Nonadiabatic orientation, toroidal current, and induced magnetic field in BeO molecules
- Source :
- BARTH, Ingo ; SERRANO ANDRÉS, Luis ; SEIDEMAN, Tamar. Nonadiabatic orientation, toroidal current, and induced magnetic field in BeO molecules. En: Journal of Chemical Physics, 2008, vol. 129, RODERIC. Repositorio Institucional de la Universitat de Valéncia, instname
- Publication Year :
- 2008
-
Abstract
- 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
- Subjects :
- Photoexcitation
Toroid
Molecular electronic states
Molecule-photon collisions
Magnetic moment
Chemistry
Configuration interactions
Excited states
General Physics and Astronomy
Electronic structure
Molecular orientation
Magnetic field
UNESCO::FÍSICA::Química física
Coupled cluster calculations
Beryllium compounds
Excited state
Magnetic moments
Physical and Theoretical Chemistry
Atomic physics
FÍSICA::Química física [UNESCO]
Ring current
Excitation
Subjects
Details
- ISSN :
- 10897690
- Volume :
- 129
- Issue :
- 16
- Database :
- OpenAIRE
- Journal :
- The Journal of chemical physics
- Accession number :
- edsair.doi.dedup.....10d04df504bf145b6c15d52c174ece4f