Electronic structure and dynamics in strong fields: precision spectra for multi-electron systems

强场中的电子结构和动力学：多电子系统的精密光谱

• 批准号: 281180206
• 负责人: Professor Dr. Armin Scrinzi
• 金额: --
• 依托单位: Lehrstuhl für Theoretische Physik - Computational and Plasma Physis
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2015
• 资助国家: 德国
• 起止时间: 2014-12-31 至 2018-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/281180206?language=en
• 关键词: Electronic; structure; dynamics; strong; fields

Strong and precisely controlled electric fields are available in the form of extremely short laser pulses. These fields are used to literally observe how electrons move in atoms and molecules and to control the transformation of electronic structure by such pulses. Electrons and photons reach us as the messengers of these processes by their distribution in energy and emission angles. The precise interpretation and theoretical and computational verification of such distributions is the overall purpose of this project. Our principal guideline is to establish unambiguous theoretical data, and to do so for a set of atomic and molecular systems that are widely used in experiments with strong pulses. The systems include (in increasing complexity) the Helium atom and the Hydrogen molecule, heavier noble gas atoms Ne, Ar, etc., molecules consisting of only two atoms (diatomics), and finally larger molecules with no or strongly reduced symmetry. In our computations, only the electronic dynamics will be investigated, which dominates the processes up to time-scales of about 1 femtosecond. The initial stage of the project is entirely based on mathematical and computational developments by our group that were established during recent years an that, for the first time, allow the precise calculation of such phenomena with manageable computer resources. To progress further in this direction, method development constitutes about 25% of the research time in this project. Our data will be used to answer questions like: what causes the observed time-delays in the emission of electrons? (Not fully explained even for the simplest noble gas atom of Helium). Can we imagine electron detachment as a process involving only a single electron, or does the collective motion of electrons determine emission spectra? The answer to this question is expected to depend on the molecular species. What does the emitted light tell us about the internal structure of the molecule? Do we only see the electronic skin (valence electrons), do we see the core, do we see motion of electrons?

强烈和精确控制的电场以极短的激光脉冲的形式获得。这些磁场用于从字面上观察电子如何在原子和分子中移动，并通过这种脉冲来控制电子结构的转化。电子和光子通过这些过程的使者在能量和发射角度的分布来传达给我们。此类分布的确切解释以及理论和计算验证是该项目的总体目的。我们的主要准则是建立明确的理论数据，并为一组广泛用于强脉冲实验中广泛使用的原子和分子系统。该系统包括（增强复杂性）氦原子和氢分子，较重的贵气体原子NE，AR等，仅由两个原子（二元组学）组成，最后是没有或强烈降低对称性的较大分子。在我们的计算中，只会研究电子动力学，这将过程占主导地位，直至大约1秒秒的时间尺度。该项目的初始阶段完全基于我们的小组的数学和计算发展，这些发展是近年来建立的，这是首次允许使用可管理的计算机资源对此类现象进行精确计算。为了进一步朝这个方向发展，方法开发约占该项目研究时间的25％。我们的数据将用于回答诸如以下问题：是什么原因导致电子发射时观察到的时间日？ （即使是最简单的氦气原子，也没有完全解释）。我们可以将电子脱离视为仅涉及单个电子的过程，还是电子的集体运动决定发射光谱？该问题的答案有望取决于分子物种。发出的光告诉我们分子的内部结构？我们是否只看到电子皮肤（价电子），我们看到核心吗，我们看到电子的运动吗？