权益分类	功能权益	普通用户	{{item.name}}会员
{{category.name}}	{{benefitItem.name}}

Laser-Induced nonadiabatic processes in molecular systems: Theory and applications

分子系统中激光诱导的非绝热过程：理论与应用

基本信息

批准号：
206675520
负责人：
Professor Dr. Lorenz S. Cederbaum
金额：
--
依托单位：
Forschungsgruppe Theoretische Chemie
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2011
资助国家：
德国
起止时间：
2010-12-31 至 2018-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/206675520?language=en
关键词：
Laser Induced nonadiabatic processes molecular

项目摘要

In this project we continue our former research work on the field of laser-induced nonadiabatic processes. It is well known that conical intersections (CIs) between electronic potential energy surfaces play an important role in nonadiabatic molecular processes. In CI situations the electronic states are coupled by the nuclear motion and the energy exchange between the electrons and the nuclei becomes significant. For polyatomic molecules, CIs are ubiquitous. As a consequence of the well-known "noncrossing rule", CIs cannot be formed in field-free diatomics. However, by applying external fields, CI can be created even in diatomics. In this situation the laser light induces CIs which couple the electronic states and the internal rotation and vibrational motions. It was pointed out in our former works, that such light-induced conical intersections (LICIs) have very strong impact on various dynamical properties (like molecular spectra, molecular alignment or photodissociation probability) of diatomic molecules. Our research programme includes the following three major topics: (I) Controlling molecular dynamical processes by LICIs using chirped laser pulses. We plan to design the chirp such as to achieve a desired outcome of the photodissociation process of D2+. (II) Demonstration of the impact of the laser-induced conical intersections on the absorption spectra of molecules. We plan to investigate how the usual Franck-Condon approximation breaks down in the presence of LICIs. (III) Investigation of the impact of LICIs in triatomic systems. In particular, we plan to study the effect of the LICI formed between the ground (X) and the Hartley (B) states of the ozone molecule.

在这个项目中，我们继续之前在激光诱导非绝热过程领域的研究工作。众所周知，电子势能面之间的圆锥相交（CI）在非绝热分子过程中发挥着重要作用。在 CI 情况下，电子态通过核运动耦合，电子和原子核之间的能量交换变得重要。对于多原子分子，CI 无处不在。由于众所周知的“不交叉规则”，CI 无法在无场双原子中形成。然而，通过应用外部场，即使在双原子中也可以创建 CI。在这种情况下，激光诱导 CI 耦合电子态以及内部旋转和振动运动。我们在之前的工作中指出，这种光致圆锥相交（LICIs）对双原子分子的各种动力学性质（如分子光谱、分子排列或光解离概率）有非常大的影响。我们的研究计划包括以下三个主要主题：（一）使用啁啾激光脉冲通过LICI控制分子动力学过程。我们计划设计线性调频脉冲，以实现 D2+ 光解离过程的预期结果。 (II) 演示激光诱导的圆锥形交叉点对分子吸收光谱的影响。我们计划研究常见的 Franck-Condon 近似在 LICI 存在的情况下如何崩溃。 (III)研究LICI对三原子系统的影响。特别是，我们计划研究臭氧分子的基态（X）和哈特利（B）态之间形成的LICI的影响。