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 1 π ± 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.
| Original language | English (US) |
|---|---|
| Article number | 164303 |
| Journal | Journal of Chemical Physics |
| Volume | 129 |
| Issue number | 16 |
| DOIs | |
| State | Published - 2008 |
Funding
We thank Professor J. Manz and Dr. N. Elghobashi for stimulating discussions and Professor T. Baumert and Dr. T. Siebert for experimental advice. T.S. is grateful to the Alexander von Humboldt Foundation for a generous award and for support of a visit to Berlin that enabled this research. Support of the Deutsche Forschungsgemeinschaft (Project Nos. Ma 515/23-1 and subsequently Sfb 450/TPC1), the Agentur für Arbeit Berlin-Nord, the Spanish MEC (Project Nos. CTQ2007-61260 and CSD2007-0010 Consolider-Ingenio in Molecular Nanoscience), and the U.S. Department of Energy (Grant No. DAAD19-03-R0017) is gratefully acknowledged.
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry