RUI: Double Photoionization to Probe Electron Correlation Many-Electron Molecules

RUI：双光电离探测电子关联多电子分子

• 批准号: 2309348
• 负责人: Frank Yip
• 金额: $ 15.19万
• 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: 2023
• 资助国家: 美国
• 起止时间: 2023-09-01 至 2026-08-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2309348&HistoricalAwards=false
• 关键词: RUI; Double; Photoionization; Probe; Electron

Electron correlation is a fundamental phenomena which greatly impacts the behavior and structure of all matter. Many decades of research have led to accurate ways of accounting for the dynamics of electrons in the simplest atoms and molecules and have elucidated the impacts of ejecting two electrons by a single photon in purely two electron systems. The goal of this project is to examine the correlated electron dynamics within fundamental molecules with more than two electrons. This work will advance the basic science of understanding this process, which is currently most complete in purely two-electron molecules, to chemically relevant species, e.g. ethylene and water. 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 a more complete understanding of electron correlation in molecules with more than two electrons would impact many other fields of study, including chemistry, atomic and molecular physics, molecular biology, and material science. Double photoionization (DPI) of molecules involving second-row atoms is a long-term goal of theory and this work seeks to advance these capabilities, in particular to support recent experimental observations via coincidence momentum imaging spectroscopy (e.g., COLTRIMS) measuring the double ionization of ethylene and water molecules that can observe the body-frame angular distributions via a kinematically complete reconstruction of the ionic fragments after Coulomb explosion. Both molecular targets provide a significantly more complicated molecule to compare new theoretical calculations with these measurements at the level of what presently exists for H2. The removal of two electrons from an atom or molecule by photon(s) necessarily requires a correct description of electron correlation and serves as a direct probe of this phenomenon. The development and expansion of theoretical calculations dedicated to double ionization previously employed for studying this process in the simplest molecule, H2 and most recently Li2, will be expanded to consider multi-electron polyatomic molecules as targets, in order to better understand the broader consequences of electron correlation in fundamental molecules containing second-row atoms possessing many more electrons. A fuller understanding and detailed description of the effects of highly correlated electron dynamics, particularly in the continuum, is a long-term goal of the atomic and molecular physics research community.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

电子相关是一种基本现象，极大地影响了所有物质的行为和结构。 数十年的研究导致了对最简单的原子和分子中电子动力学的准确方法，并阐明了在纯粹两个电子系统中通过一个光子弹出两个电子的影响。该项目的目的是检查基本分子中与两个以上电子的相关电子动力学。这项工作将促进理解这一过程的基础科学，目前在纯粹的两电子分子中最完整的是化学相关物种，例如乙烯和水。相关的电子相互作用对原子水平的物质组织和结构至关重要，并且继续对学习和更好地理解至关重要。对具有两个以上电子的分子中电子相关性的更全面了解的更广泛的后果会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。涉及第二行原子的分子的双重光电离（DPI）是理论的一个长期目标，这项工作旨在提高这些能力，特别是为了通过一致的动量成像检查（例如Coltrims）来支持最近的实验观察，以测量乙烯和水分子的双重分配，以衡量乙烯和水分子的分配，以驱动体形的分布来衡量范围，即可衡量范围的分配，即可衡量范围的范围，以促进依从范围。库仑爆炸后的离子碎片。这两个分子靶标提供了一个更复杂的分子，可以将新的理论计算与这些测量值进行比较，以H2目前存在的测量水平。通过光子从原子或分子中去除两个电子必然需要正确描述电子相关性，并作为该现象的直接探测。以前用于在最简单的分子H2和LI2中研究这一过程的理论计算的开发和扩展将扩展到考虑多电子多原子分子作为目标，以便更好地理解具有含有数量电子的电子相关性的电子相关性的更广泛的后果。 对高度相关的电子动力学的影响，特别是在连续体中的影响，是原子和分子物理研究社区的长期目标。该奖项反映了NSF的法定任务，并被认为是值得通过基金会的知识分子优点和更广泛的影响审查标准来通过评估来支持的。