RUI: Double Photoionization to Probe Electron Correlation in Atomic and Molecular Systems with More than Two Electrons

RUI：双光电离探测具有两个以上电子的原子和分子系统中的电子相关性

• 批准号: 1509971
• 负责人: Frank Yip
• 金额: $ 7.5万
• 依托单位: California Maritime Academy
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-08-01 至 2018-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1509971&HistoricalAwards=false
• 关键词: RUI; Double; Photoionization; Probe; Electron

Some of the simplest objects making up the world as we experience it on a day-to-day basis are atoms and molecules. These atoms and molecules consist of nuclei made up of protons and neutrons surrounded by a sea of electrons. Interactions among atoms and molecules, especially chemical interactions, involve the motion of the electrons. Exploring the dynamics of this motion, leading to interactions, has been a major focus of research since the discovery of quantum mechanics, whose laws allow us to calculate this motion. When an atom or molecule consists of a large number of electrons, the calculations can only be approximate and are extremely difficult, while at the same time being important for understanding aspects of chemistry. This project will focus on calculating a subset of these interactions. The research will be carried out at an undergraduate institution, offering the possibility of a true research experience for undergraduate students.This project will examine the consequences of correlated electron dynamics of small atoms and molecules with more than two electrons in order to better understand the similarities and differences in different target atoms and molecules that result from having many electrons. Electron correlation is a fundamental phenomena with great impacts on the behavior and structure of all matter. Many decades of research towards developing more accurate ways of accounting for the non-approximated dynamics of electronic motion in even the simplest atoms and molecules have been focused on bound states (energy levels of atoms, potential curves of molecules, etc.) but the consequences of this correlation also greatly impact the resulting double continua when two electrons are ejected from a target by photons. These correlated electron interactions are fundamental to the organization and structure of matter at the atomic level and continue to be of vital importance to study and better understand. Broader consequences of pursuing more a complete understanding of electron correlation in simple atoms and molecules with more than two electrons would impact many other fields of study, including chemistry, atomic and molecular physics, molecular biology, and material science, to name a few. This project will investigate the impacts of these fundamental electronic correlations for non-trivial atoms and molecules with more than two electrons in order to better understand the ways that the initial and final states of the electrons that remain bound to the atom or diatomic molecule can affect the two photoejected electrons leaving the others behind. Theoretical calculations describing these events from first principles will be applied to targets with many electrons that continue to interact with the fully correlated electrons before, during and after the photoionization event. It is hoped that this project can further elucidate the broader consequences of how all of the electrons bound to an atom or molecule can affect those that will be moved into the continuum and how consequences of symmetry and electronic structure impacts outgoing electrons. Both time-dependent and time-independent approaches will be explored. The work is closely coupled to kinematically complete experimental investigations of these systems.

原子和分子是构成我们日常生活中所经历的世界的最简单的物体。 这些原子和分子由质子和中子组成的原子核组成，周围环绕着大量的电子。 原子和分子之间的相互作用，特别是化学相互作用，涉及到电子的运动。 探索这种运动的动力学，导致相互作用，一直是自量子力学发现以来的主要研究焦点，量子力学的定律允许我们计算这种运动。 当原子或分子由大量电子组成时，计算只能是近似的并且极其困难，但同时对于理解化学方面很重要。 这个项目将集中在计算这些相互作用的一个子集。 本研究将在本科院校进行，为本科生提供真正的研究体验。本项目将研究具有两个以上电子的小原子和分子的相关电子动力学的结果，以便更好地理解具有多个电子的不同目标原子和分子的相似性和差异。电子关联是一种基本现象，对所有物质的行为和结构都有重要影响。几十年来，人们一直致力于发展更精确的方法来解释电子运动的非近似动力学，即使是最简单的原子和分子，也一直专注于束缚态（原子的能级，分子的势能曲线等）。但是当两个电子被光子从目标射出时，这种相关性的结果也极大地影响所得到的双连续体。这些相关的电子相互作用是原子水平上物质组织和结构的基础，并且对于研究和更好地理解仍然至关重要。更全面地了解具有两个以上电子的简单原子和分子中的电子相关性将产生更广泛的后果，这将影响许多其他研究领域，包括化学、原子和分子物理学、分子生物学和材料科学等。该项目将研究这些基本电子相关性对具有两个以上电子的非平凡原子和分子的影响，以便更好地理解保持与原子或双原子分子结合的电子的初始和最终状态可以影响两个光喷射电子的方式，从而将其他电子留在后面。从第一原理描述这些事件的理论计算将被应用于具有许多电子的目标，这些电子在光电离事件之前、期间和之后继续与完全相关的电子相互作用。希望这个项目可以进一步阐明所有与原子或分子结合的电子如何影响那些将被移动到连续体中的电子的更广泛的后果，以及对称性和电子结构的后果如何影响传出的电子。将探讨与时间有关和与时间无关的方法。这项工作是紧密耦合到这些系统的运动学完整的实验研究。