Inclusion of Quantum Fluctuations in Wave Packet Dynamics

Wave-packet dynamics in quantum wells.

Quantum wave-packet dynamics of the photodissociation of LiF

A nuclear wave-packet description of the photodissociation of LiF is described, with emphasis on the dynamics associated with the formation of long-lived resonances. The predissociation is described using ab initio potential-energy curves and transition dipole matrix elements. The split operator method is used to propagate time-dependent coupled-channel wave functions in a diabatic representati...

Destruction of quantum coherence and wave packet dynamics

The development of short, powerful laser pulses and of sophisticated trapping techniques within the last few years has stimulated numerous theoretical and experimental investigations on the dynamics of wave packets in elementary, material quantum systems. These wave packets are non stationary, spatially localized quantum states which are situated on the border between the microscopic and macros...

Quantum wave packet revivals

The numerical prediction, theoretical analysis, and experimental verification of the phenomenon of wave packet revivals in quantum systems has flourished over the last decade and a half. Quantum revivals are characterized by initially localized quantum states which have a short-term, quasi-classical time evolution, which then can spread significantly over several orbits, only to reform later in...

Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systems.

A methodology to efficiently conduct simultaneous dynamics of electrons and nuclei is presented. The approach involves quantum wave packet dynamics using an accurate banded, sparse and Toeplitz representation for the discrete free propagator, in conjunction with ab initio molecular dynamics treatment of the electronic and classical nuclear degree of freedom. The latter may be achieved either by...