TY - JOUR A1 - Andrianov, Igor A1 - Bonačić-Koutecký, Vlasta A1 - Hartmann, Michael A1 - Manz, Jörn A1 - Pittner, Jiřı́ A1 - Sundermann, K. T1 - Ab initio three-dimensional quantum dynamics of Ag3 clusters in the NeNePo process JF - Chemical Physics Letters N2 - 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. KW - Chemical physics KW - Three dimensional quantum dynamics Y1 - 2000 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0298-opus4-5637 VL - 318 IS - 1-3 SP - 256 EP - 262 ER -