UK Atomic, Molecular and Optical physics R-matrix consortium (UK AMOR)

英国原子、分子和光学物理 R 矩阵联盟 (UK AMOR)

• 批准号: EP/R029342/1
• 负责人: Jonathan Tennyson
• 金额: $ 46.9万
• 依托单位: University College London
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2018
• 资助国家: 英国
• 起止时间: 2018 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FR029342%2F1
• 关键词: UK; Atomic; Molecular; Optical; physics

The R-matrix methodology is a UK success story. The method was originally developed to provide rigorous treatment of electron collisions with ions and atoms. It was then expanded to treat electron molecule collisions and matter in intense laser fields. Further extension to treat ultracold chemistry forms part of this proposal. The development of the software based on R-matrix methodology has received extensive support from CCPQ (and its predecessors), EPSRC and eCSE. The resulting code set is at the forefront of international atomic, molecular and optical (AMO) physics and is used by researchers world-wide. R-matrix studies have ridden successive waves of computer development and as a result are making an increasing contribution to science and technology in many areas.UK AMOR is a new High End Computing consortium which will work in the general area of AMO physics. Problems studied using ARCHER will include:a) The interaction of atoms and molecules with light including intense light sources. R-matrix with time-dependence (RMT) is the leading code in this area, allowing calculations at the intersection of atomic and strong-field physics. Ongoing extensions to molecules, and atoms in arbitrarily polarised laser pulses will further establish the code on the world stage. This will provide key support for exciting experimental work being performed on these physical processes.b) Electron collisions with atoms, ions and molecules using UK codes which are widely used internationally. Calculations will focus on applications ranging from fusion plasmas to radiation damage in biological systems. For fusion we will focus on high accuracy calculations on atoms and ions, and key molecules important for fusion experiments. We will also perform high accuracy electron-molecule collisions calculations to study: 1) large systems such as molecular clusters and biomolecules where results are important for studies radiation of tracks and DNA damage. 2) processes of applied relevance for extended energy ranges, 3) processes of applied where improved models will provide more accurate scattering data 4) benchmark problems with full uncertainty quantification. These studies are only possible using the new UKRMol(+) code and ARCHER.c) Ultracold chemistry: this a new area of study. Codes will be developed to treat ultraslow collisions for reactive systems over deep potential wells. Such systems are characterised by complex resonance structures whose study offers unique opportunities for chemical control and insights into this fundamental process. The methodology will also be applicable to a variety of related low-energy processes such as radiative association. Calculations will be performed on systems accessible to planned state-of-the-art experiment.

R-Matrix方法论是英国的成功故事。该方法最初是为了提供与离子和原子的电子碰撞的严格处理。然后将其扩展以治疗激光场中的电子分子碰撞和物质。治疗超冷化学的进一步扩展构成了本提案的一部分。基于R-Matrix方法的软件的开发已得到CCPQ（及其前身），EPSRC和ECSE的广泛支持。由此产生的代码集位于国际原子，分子和光学（AMO）物理学的最前沿，全球研究人员使用。 R-Matrix的研究已经连续开发了计算机开发的浪潮，因此在许多领域为科学技术做出了越来越多的贡献。Amor是一个新的高端计算财团，它将在AMO Physics的一般领域起作用。使用弓箭手研究的问题将包括：a）原子和分子与光的相互作用，包括强烈的光源。 r-matrix具有时间依赖性（RMT）是该领域的领先代码，可以在原子和强场物理学的交点上进行计算。分子的持续扩展和任意两极分化激光脉冲中的原子将在世界阶段进一步建立代码。这将为您在这些物理过程上进行的令人兴奋的实验工作提供关键的支持。B）与原子，离子和分子使用英国代码的电子碰撞，这些代码在国际上广泛使用。计算将集中于从融合等离子体到生物系统中的辐射损伤的应用。对于融合，我们将重点介绍对原子和离子的高精度计算，而关键分子对于融合实验很重要。我们还将执行高精度电子分子碰撞计算以研究：1）大型系统，例如分子簇和生物分子，其中结果对于研究轨道和DNA损伤的辐射很重要。 2）扩展能量范围的应用相关过程，3）应用的改进模型的应用过程将提供更准确的散射数据4）基准问题具有完全不确定性量化的基准问题。这些研究只能使用新的乌克莫尔（+）代码和Archer.c）超低化学：这是一个新的研究领域。将开发代码来治疗反应性系统的超震碰撞，以覆盖深厚的潜在井。这样的系统的特征是复杂的共振结构，其研究为化学控制提供了独特的机会，并洞悉了这一基本过程。该方法还将适用于各种相关的低能过程，例如辐射关联。将对计划的最新实验访问的系统进行计算。

项目成果

Electron Scattering Cross-Section Calculations for Atomic and Molecular Iodine

原子碘和分子碘的电子散射截面计算

• DOI: 10.3390/atoms9040103
• 发表时间: 2021
• 期刊: Atoms
• 影响因子: 1.8
• 作者: Ambalampitiya, Harindranath;Hamilton, Kathryn;Zatsarinny, Oleg;Bartschat, Klaus;Turner, Matt;Dzarasova, Anna;Tennyson, Jonathan
• 通讯作者: Tennyson, Jonathan

Electron correlation and short-range dynamics in attosecond angular streaking

• DOI: 10.1103/physreva.101.041401
• 发表时间: 2020-03
• 期刊: Physical Review A
• 影响因子: 2.9
• 作者: G. Armstrong;D. Clarke;J. Benda;A. Brown;H. W. V. D. Hart

Enhancing spin polarization using ultrafast angular streaking

• DOI: 10.1103/physreva.103.053123
• 发表时间: 2021-05
• 期刊: Physical Review A
• 影响因子: 2.9
• 作者: G. Armstrong;D. Clarke;J. Benda;J. Wragg;A. Brown;H. W. van der Hart

Modeling tomographic measurements of photoelectron vortices in counter-rotating circularly polarized laser pulses

• DOI: 10.1103/physreva.100.063416
• 发表时间: 2019-12-10
• 期刊: PHYSICAL REVIEW A
• 影响因子: 2.9
• 作者: Armstrong, G. S. J.;Clarke, D. D. A.;van der Hart, H. W.
• 通讯作者: van der Hart, H. W.

Current State of Astrophysical Opacities: A White Paper

天体物理不透明性的现状：白皮书

• 发表时间: 2018
• 期刊: Astronomical Society of the Pacific Conference Series
• 作者: A E Lynas-Gray