Technische Universität München, Theoretische Chemie, Lichtenbergstr. 4, 85747 Garching, Germany.
J Chem Phys. 2011 Mar 7;134(9):094102. doi: 10.1063/1.3556940.
In this paper, we present benchmark results for dissipative dynamics of a harmonic oscillator coupled to an anharmonic bath of Morse oscillators. The microscopic Hamiltonian has been chosen so that the anharmonicity can be adjusted as a free parameter, and its effect can be isolated. This leads to a temperature dependent spectral density of the bath, which is studied for ohmic and lorentzian cases. Also, we compare numerically exact multiconfiguration time-dependent Hartree results with approximate solutions using continuous configuration time-dependent self-consistent field and local coherent state approximation.
在本文中，我们展示了与 Morse 振荡器非谐 bath 耦合的谐振子耗散动力学的基准结果。选择微观哈密顿量，使得非谐性可以作为自由参数进行调整，并且可以隔离其影响。这导致了浴的温度相关光谱密度，对欧姆和洛伦兹情况进行了研究。此外，我们还通过连续组态时变自洽场和局域相干态近似的近似解，数值上精确地比较了多组态时变 Hartree 结果。
