Physics – Chemical Physics
Scientific paper
2003-07-09
J. Chem. Phys. 119, 6635 (2003)
Physics
Chemical Physics
accepted in J. Chem. Phys.; 26 pages, 6 figures; the order of authors' names on the title page corrected
Scientific paper
10.1063/1.1605095
A method for stochastic unraveling of general time-local quantum master equations (QMEs) is proposed. The present kind of jump algorithm allows a numerically efficient treatment of QMEs which are not in Lindblad form, i.e. are not positive semidefinite by definition. The unraveling can be achieved by allowing for trajectories with negative weights. Such a property is necessary, e.g. to unravel the Redfield QME and to treat various related problems with high numerical efficiency. The method is successfully tested on the damped harmonic oscillator and on electron transfer models including one and two reaction coordinates. The obtained results are compared to those from a direct propagation of the reduced density matrix (RDM) as well as from the standard quantum jump method. Comparison of the numerical efficiency is performed considering both the population dynamics and the RDM in the Wigner phase space representation.
Kleinekathoefer Ulrich
Kondov Ivan
Schreiber Michael
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