Display Abstract

Title Exact and approximate wave packet dynamics with quantum trajectories

Name Clemens Woywod
Country Norway
Email woywod@ch.tum.de
Co-Author(s)
Submit Time 2014-02-28 14:24:52
Session
Special Session 32: Applied analysis and dynamics in engineering and sciences
Contents
Quantum fluid dynamics (QFD) is an alternative to conventional methods for the solution of the Schroedinger equation for nuclear motion on one or more electronic potential energy surfaces. Integration of the QFD equations via time propagation of quantum trajectories corresponds to a calculation of the full nuclear wave function, the only approximation being discretization. The bottleneck of this approach is clearly the numerically difficult computation of the quantum force term. The performance of different implementations of QFD is analyzed. QFD is also interesting as starting point for the development of mixed quantum-classical methods. One particular version is applied to the dynamics of coupled anharmonic oscillators and compared to the mean field ansatz.