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arXiv quant-ph/0001004quant-ph
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环境在分子系统中的作用

The Role of the Environment in Molecular Systems

Dmitri S. Kilin

摘要:

这项工作致力于研究热浴对量子系统中物理过程的影响。密度矩阵理论是研究量子弛豫的最有力工具之一。在工作的开始(第2章),我们提到并回顾了推导非绝热表象中任意量子系统与一组独立谐振子模型化的环境相互作用的约化密度矩阵(主方程)的运动方程的最重要步骤。第三章讨论了经典效应和量子效应之间的边界问题,并报告了环境对作为一个简单系统的谐振子的相干态或两个相干态的叠加的时间演化的影响的研究,显示了从量子到经典制度的过渡的特点。第4章和第5章涉及电子转移(ET)问题,即分子锌卟啉醌配合物模拟人工光合作用(第4章)和光诱导过程中的卟啉三联体(第5章)ET的数学描述。每章以导言开始,以简短的总结结束。结论部分总结了本研究的主要成果。

英文摘要:

The work is devoted to the investigation of the influence of a heat bath on the physical processes in a quantum system. We use the density matrix theory as one of the most powerfool tool for investigation of quantum relaxation. In the beginning of the work (chapter 2) we mention and recall the most important steps of derivation of the equation of motion for the reduced density matrix (master equation) for an arbitrary quantum system in diabatic representation interacting with the environment modeled by a set of independent harmonic oscillators. Chapter 3 deals with the question of the border between classical and quantum effects and reports on a study of the environmental influence on the time evolution of a coherent state or the superposition of two coherent states of a harmonic oscillator as a simple system displaying the peculiarities of the transition from quantum to classical regime. Chapters 4 and 5 concern the electron transfer (ET) problem, namely the mathematical description of the ET in molecular zinc-porphyrin-quinone complexes modeling artificial photosynthesis (chapter 4) and photoinduced processes in the porphyrin triad (chapter 5). Each chapter starts with an introduction and ends with a brief summary. The main achievements of the present work are summarized in the Conclusions.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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