Quantum effects in intermediate-temperature dipole-dipole correlation-functions in the presence of an environment.
Quantum effects in intermediate-temperature dipole-dipole correlation-functions in the presence of an environment.
复制标题
存在环境时中温偶极-偶极相关函数的量子效应。
DOI：
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发表时间：
2014
影响因子：
4.4
通讯作者：
Frank Grossmann
中科院分区：
文献类型：
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作者：
Frank Grossmann
我们研究了在谐振子的中温浴存在下的热偶极子-偶极子相关函数及其相应的红外光谱。对于没有耦合到热浴的莫尔斯振荡器，量子能级结构显示在光谱中，而经典计算显示出宽广的、模糊的光谱。在已经存在极弱弛豫率的纯欧姆耗散的情况下，恢复了经典情况。使用 Tanimura 和 Wolynes 的 HEOM 方法 [Phys. Rev. A 43, 4131 (1991)]，我们表明，要观察中等阻尼强度和中间温度频谱中能级结构的一些残余，动力学必须是非马尔可夫的（带截止的欧姆耗散）。
We study thermal dipole-dipole correlation functions and their corresponding IR spectra in the presence of an intermediate temperature bath of harmonic oscillators. Whereas for a Morse oscillator without coupling to a heat bath, the quantum level structure is displayed in the spectrum, classical calculations show a broad, smeared out spectrum. In the presence of purely Ohmic dissipation already for extremely weak relaxation rate, the classical case is recovered. Using the HEOM approach of Tanimura and Wolynes [Phys. Rev. A 43, 4131 (1991)], we show that to observe some remnants of the level structure in the spectrum for moderate damping strength as well as intermediate temperatures, the dynamics has to be non-Markovian (Ohmic dissipation with cutoff).
影响因子：
4.4
作者：
Rossi, Mariana;Ceriotti, Michele;Manolopoulos, David E.
通讯作者：
Manolopoulos, David E.
影响因子：
3.3
作者：
Hein, Birgit;Kreisbeck, Christoph;Rodriguez, Mirta
通讯作者：
Rodriguez, Mirta