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

被引：16

作者：

Andrianov, I

Bonacic-Koutecky, V

Hartmann, M

Manz, J

Pittner, J

Sundermann, K

机构：

[1] Free Univ Berlin, Inst Chem, D-14195 Berlin, Germany

[2] Natl Acad Sci Belarus, Inst Phys, Minsk 220602, BELARUS

[3] Humboldt Univ, Walther Nernst Inst Phys & Theoret Chem, D-10117 Berlin, Germany

[4] Acad Sci Czech Republ, J Heyrovsky Inst Phys Chem, CZ-18223 Prague 8, Czech Republic

[5] Max Planck Inst Quantum Opt, D-85748 Garching, Germany

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 318卷 / 1-3期

关键词：

D O I：

10.1016/S0009-2614(00)00027-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The first three-dimensional quantum-dynamical ab initio simulation of the large amplitude vibrational dynamics of an Ag-3 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. (C) 2000 Elsevier Science B.V.

引用

页码：256 / 262

页数：7

共 24 条

[1] FRACTIONAL REVIVALS - UNIVERSALITY IN THE LONG-TERM EVOLUTION OF QUANTUM WAVE-PACKETS BEYOND THE CORRESPONDENCE PRINCIPLE DYNAMICS [J].