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Molecular quantum wavepacket revivals in coupled electronic states
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
2007 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 449, no 4-6, 266-271 p.Article in journal (Refereed) Published
Abstract [en]

Large-amplitude revivals of molecular wavepackets in two coupled electronic states were obtained in quantum dynamical calculations. The revivals occurred in both bound and predissociative systems with a pattern analogous to that of wavepackets in single anharmonic potentials. Essential for their appearance was dynamical interference of wavepacket fractions moving along diabatic and adiabatic paths. The full revival period of the coupled system was shown to be given by an average of those of the diabatic and adiabatic states weighted in proportion to the wavepacket splitting ratio at the potential curve crossing.

Place, publisher, year, edition, pages
2007. Vol. 449, no 4-6, 266-271 p.
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Chemical Sciences
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URN: urn:nbn:se:kth:diva-37294DOI: 10.1016/j.cplett.2007.10.068ISI: 000251857700002Scopus ID: 2-s2.0-36349031250OAI: oai:DiVA.org:kth-37294DiVA: diva2:432925
Available from: 2011-08-08 Created: 2011-08-08 Last updated: 2017-12-08Bibliographically approved

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