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.
Author: | Igor Andrianov, Vlasta Bonačić-Koutecký, Prof. Dr. Michael Hartmann, Jörn Manz, Jiřı́ Pittner, K. Sundermann |
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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): | ![]() |