@article{AndrianovBonačićKouteckyHartmannetal.2000, author = {Andrianov, Igor and Bonačić-Kouteck{\´y}, Vlasta and Hartmann, Michael and Manz, J{\"o}rn and Pittner, Jiř{\i}́ and Sundermann, K.}, title = {Ab initio three-dimensional quantum dynamics of Ag3 clusters in the NeNePo process}, series = {Chemical Physics Letters}, volume = {318}, journal = {Chemical Physics Letters}, number = {1-3}, url = {http://nbn-resolving.de/urn:nbn:de:0298-opus4-5637}, pages = {256 -- 262}, year = {2000}, abstract = {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.}, language = {en} }