Non-Markovian theories based on a decomposition of the spectral density

作者：Kleinekathofer U^*

来源：Journal of Chemical Physics, 2004, 121(6): 2505-2514.

DOI：10.1063/1.1770619

For the description of dynamical effects in quantum mechanical systems on ultrashort time scales, memory effects play an important role. Meier and Tannor [J. Chem. Phys. 111, 3365 (1999)] developed an approach which is based on a time-nonlocal scheme employing a numerical decomposition of the spectral density. Here we propose two different approaches which are based on a partial time-ordering prescription, i.e., a time-local formalism and also on a numerical decomposition of the spectral density. In special cases such as the Debye spectral density the present scheme can be employed even without the numerical decomposition of the spectral density. One of the proposed schemes is valid for time-independent Hamiltonians and can be given in a compact quantum master equation. In the case of time-dependent Hamiltonians one has to introduce auxiliary operators which have to be propagated in time along with the density matrix. For the example of a damped harmonic oscillator these non-Markovian theories are compared among each other, to the Markovian limit neglecting memory effects and time dependencies, and to exact path integral calculations. Good agreement between the exact calculations and the non-Markovian results is obtained. Some of the non-Markovian theories mentioned above treat the time dependence in the system Hamiltonians nonperturbatively. Therefore these methods can be used for the simulation of experiments with arbitrary large laser fields.

• 出版日期2004-8-8