Topics in theoretical chemical dynamics

分子与光之间的相互作用是化学中最重要的现象之一，它驱动着自然过程（例如，视觉），并使我们能够在最基本的水平上询问（例如，在光谱学中）和操纵（例如，通过相干控制）分子。这种相互作用及其效果受量子力学定律的支配。在本提案中，我们概述了一个创造性的研究计划，旨在探索和利用量子相干性、非相干性和退相干性在各种基本过程中的光-物质相互作用，如无辐射跃迁、视觉中的异构化过程等。本研究的主题内容丰富，涵盖了我们对封闭和开放量子系统理解的最前沿的许多具有挑战性的理论/计算问题，与正在进行和提议的高科技实验有着密切的联系。这项工作的结果有望在对自然的基本理解方面具有重要意义，并有助于开发旨在从量子效应中受益的实用设备。该计划还有望提供对培养现代高素质人才至关重要的研究环境和研究挑战。**************

The interaction between molecules and light is one of the most significant phenomena in Chemistry, driving natural processes (e.g., vision), and allowing us to both interrogate (e.g., in spectroscopy) and manipulate (e.g., via coherent control) molecules at their most fundamental level. This interaction, and its effect, is governed by the laws of quantum mechanics. In this proposal, we outline a creative program of study designed to explore and utilize quantum coherence, incoherence and decoherence in light-matter interactions in a variety of fundamental processes, such as radiationless transitions, isomerization processes in vision, etc. The subject of this study is rich in content, encompassing many challenging theoretical/computational problems at the forefront of our understanding of closed and open quantum systems, with strong ties to ongoing and proposed high-tech experiments. The results of this work are expected to be significant both in terms of a fundamental understanding of nature, and in contributing to the development of practical devices that are designed to benefit from quantum effects. The proposed program is also expected to provide the research environment and research challenges that are vital to the training of modern, highly qualified personnel. **************