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Ab initio three-dimensional quantum dynamics of Ag3 clusters in the NeNePo process

  • The first three-dimensional quantum-dynamical ab initio simulation of the large amplitude vibrational dynamics of an Ag3 cluster initiated from its linear transition state is presented. This can be monitored by femtosecond pump-probe negative-ion to neutral-to-positive-ion spectroscopy with zero electron kinetic energy (NeNePo-ZEKE). The time evolution of the representative wavepacket confirms the dynamical effects which have been discovered previously by Wigner-type semiclassical simulations: the initial coherent bending and stretching from linear to near equilateral triangular configuration, followed by intracluster collision and intracluster vibrational relaxation with a weak fractional revival. In addition, the quantum wavepacket shows interferences and spreading.

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Metadaten
Author: Igor Andrianov, Vlasta Bonačić-Koutecký, Prof. Dr. Michael Hartmann, Jörn Manz, Jiřı́ Pittner, K. Sundermann
URN:urn:nbn:de:0298-opus4-5637
Parent Title (English):Chemical Physics Letters
Document Type:Article
Language:English
Date of Publication (online):2014/07/02
Year of first Publication:2000
Publishing Institution:SRH Berlin University of Applied Sciences
Release Date:2014/07/02
Tag:Chemical physics; Three dimensional quantum dynamics
Volume:318
Issue:1-3
First Page:256
Last Page:262
Link author profile:https://www.srh-berlin.de/hochschule/hochschulteam/hartmann-michael/
Peer-reviewed:Keine Angabe - No details
JEL-Classification:Y Miscellaneous Categories
Licence (German):License LogoCreative Commons - Namensnennung-Nicht kommerziell-Keine Bearbeitung
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