Topics in theoretical chemical dynamics

理论化学动力学主题

• 批准号: RGPIN-2015-04608
• 负责人: Brumer, Paul
• 金额: $ 4.3万
• 依托单位: University of Toronto
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2016
• 资助国家: 加拿大
• 起止时间: 2016-01-01 至 2017-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=613062
• 关键词: Topics; theoretical; chemical; dynamics

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.

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。这种相互作用及其影响受量子力学定律的支配。在这个提案中，我们概述了一个创造性的研究计划，旨在探索和利用光-物质相互作用中的量子相干、非相干和退相干，在各种基本过程中，如无辐射跃迁、视觉中的异构化过程等。这项研究的主题内容丰富，包括许多具有挑战性的理论/计算问题，这些问题是我们理解封闭和开放量子系统的前沿问题，与正在进行的和拟议的高科技实验有很强的联系。这项工作的结果预计将是重大的，无论是在对自然的基本理解方面，还是在有助于开发旨在受益于量子效应的实用设备方面。预计拟议的方案还将提供研究环境和研究挑战，这些环境和研究挑战对培训现代、高素质人才至关重要。