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Photodissociation dynamics in crystalline solids: many-body dynamics

机译:结晶固体的光积极性动态:多体动力学

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Understanding many-body dynamics on a molecular level is a major aim in condensed phase photodynamical research. Much can be learned about this general field through studies of molecular photodissociation in model systems, namely crystalline rare gas solids. The aim of this presentation is to illustrate this proposition by highlights drawn from a variety of related investigations. Under the title of photodissociation in solids, several related processes can be categorized: charge transfer induced dissociation, radiative dissociation, atomic photomobility, are examples. The experimental paradigm in its simplest form would consist of: isolating a diatomic molecule in an ordered host of known structure, optically inducing a bound- to-free electronic transition, and following the subsequent dynamics of all atoms, on all relevant time scales. Iteration of this experiment in the laboratory and on computer, through molecular dynamics simulations is used to converge to a first principles understanding of the many-body interactions.
机译:在分子水平上了解多体动力学是在凝聚相photodynamical研究的一个主要目标。有很多事情可以通过有关模型系统,即结晶稀有气体分子固体光解研究这个领域一般学习。本演示的目的是通过从各种相关调查得出的亮点,说明这个命题。下在光解固体的标题,几个相关工艺可以分类:电荷转移诱导解离,解离辐射,原子photomobility,就是例子。在其最简单的形式中,实验范例将包括:在已知结构的有序宿主中分离原子分子,光学诱导bound-到自由电子跃迁,和以下的所有原子的后续动态,在所有相关的时间尺度。迭代该实验在实验室中和在计算机上,通过分子动力学模拟的用于收敛到理解许多体相互作用的第一原理。

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