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首页> 外文期刊>The Journal of Chemical Physics >Mixed quantum-classical description of spectroscopy of dissipative systems
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Mixed quantum-classical description of spectroscopy of dissipative systems

机译:耗散系统光谱的混合量子经典描述

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Mixed quantum-classical statistical mechanics is employed to calculate dipole moment correlation function and linear absorption spectra.A quantum two-level subsystem interacting with quantum vibrations (primary oscillators) which in turn are coupled to a classical bath composed of infinite set of harmonic oscillators is used as a dissipative system.Starting with mixed quantum-classical Liouville equation for the evaluation of the mixed quantum-classical dipole moment correlation function and using coherent states and the inverse of Baker-Campbell-Hausdorf formula to evaluate the trace over the primary oscillators,whereby,a closed analytical expression for the electronic dipole moment correlation function is obtained.Illustrations of several absorption spectra at different temperatures are provided.An approximate optical four-point correlation is obtained in the high temperature limit.A strategy for deriving an exact optical four-point correlation is suggested.
机译:采用混合的量子经典统计力学来计算偶极矩相关函数和线性吸收光谱。一个与量子振动相互作用的量子二级子系统(主振荡器)又耦合到由无限组谐波振荡器组成的经典浴中。首先使用混合量子经典Liouville方程来评估混合量子经典偶极矩相关函数,并使用相干态和Baker-Campbell-Hausdorf公式的逆来评估主振荡器上的迹线,从而得到电子偶极矩相关函数的封闭解析表达式。给出了不同温度下几个吸收光谱的图解。在高温极限下获得了近似的光学四点相关。推导精确光学四点的策略建议使用点关联。

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