DPG Phi
Verhandlungen
Verhandlungen
DPG

Regensburg 2004 – scientific programme

Parts | Days | Selection | Search | Downloads | Help

CPP: Chemische Physik und Polymerphysik

CPP 16: POSTER: Computational Physics, Complex Systems

CPP 16.1: Poster

Tuesday, March 9, 2004, 17:00–19:00, B

Monte Carlo methods for propagating multi-dimensional wave packets and density matrices — •M. Schröder1,2, U. Kleinekathöfer1,2, and M. Schreiber21International University Bremen, 28725 Bremen, Germany — 2Institut für Physik, Technische Universität Chemnitz, 09107 Chemnitz

The calculation of the time evolution of multi-dimensional wave packets and density matrices can be a very CPU-time and memory consuming process. Here we propose new mechanisms to reduce the dimensionality of the problem at the expense of an additional stochastic process. For density matrices a new method for stochastic unraveling of general time-local quantum master equations (QME) which involve the reduced density operator at time t only is proposed. The present kind of jump algorithm enables a numerically efficient treatment of QMEs which are not of Lindblad form [1]. A similar formalism is developed for the propagation of multi-dimensional wave packets. As in a time-dependent Hartree approach only one-dimensional wave packets have to be propagated. The correlation between the dimensions is reintroduced through the stochastic process.

[1] U. Kleinekathöfer, I. Kondov and M. Schreiber, Phys. Rev. E 66, 037701 (2002); J. Chem. Phys. 119, 6635 (2003).

100% | Mobile Layout | Deutsche Version | Contact/Imprint/Privacy
DPG-Physik > DPG-Verhandlungen > 2004 > Regensburg