Classical and quantum-mechanical plane switching in CO2

Classical plane switching takes place in systems with a pronounced 1:2 resonance, where the degree of freedom with the lowest frequency is doubly degenerate. Under appropriate conditions, one observes a periodic and abrupt precession of the plane in which the doubly degenerate motion takes place. In...

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Bibliographic Details
Published in:The Journal of chemical physics 2006-02, Vol.124 (7), p.74318-74318
Main Authors: Sanrey, Michaël, Joyeux, Marc, Sadovskii, Dmitrii A
Format: Article
Language:English
Subjects:
Chemical Physics
Physics
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Summary:Classical plane switching takes place in systems with a pronounced 1:2 resonance, where the degree of freedom with the lowest frequency is doubly degenerate. Under appropriate conditions, one observes a periodic and abrupt precession of the plane in which the doubly degenerate motion takes place. In this article, we show that quantum plane switching exists in CO(2). Based on our analytical solutions of classical Hamilton's equations of motion, we describe the dependence on vibrational angular momentum and energy of the frequency of switches and the plane switching angle. Using these results, we find optimal initial wave-packet conditions for CO(2) and show, through quantum-mechanical propagation, that such a wave packet indeed displays plane switching at energies around 10 000 cm(-1) above the ground state on time scales of about 100 fs.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2167747