Development and application of time-dependent R-matrix theory for the multi-electron dynamics of atoms in ultra-short light pulses

超短光脉冲中原子多电子动力学瞬态 R 矩阵理论的发展和应用

• 批准号: EP/E000223/1
• 负责人: Hugo Willem Van Der Hart
• 金额: $ 39.61万
• 依托单位: Queen's University Belfast
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2006
• 资助国家: 英国
• 起止时间: 2006 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FE000223%2F1
• 关键词: Development; application; time; dependent; matrix

We aim to develop the theory and associated computer programsto describe the time-dependent dynamics of a general atom in anultra-short, intense laser pulse. Current technology allows the creationof light pulses that are comparable in duration to the time it takesan electron to orbit an atom. By subjecting atoms to these shortpulses, it may be possible to adjust the electronic motion and henceto control the atom to an unprecedented degree.We aim to develop a theory that can be used to accurately predict theresponse of the entire multi-electron atom. To do so, we combinea multi-electron atomic theory, such as the R-matrix theory, withtime-dependent numerical techniques to obtain a novel approach for thedescription of atoms: the time-dependent R-matrix theory. We will developa substantial, new, computational program, containing several thousandsof lines of code, which exploits existing programs, developed by theapplicants, and which builds on our expertise in developing new programsas a world-leading group in theoretical atomic physics. This program willrequire significant computational resources, and the codes to be developedwill thus be developed for mid-range parallel computers.Initial investigations will be focussed on the noble-gas atoms from Neonwards, since these are the atoms most often used in state-of-the-artshort-pulse experiments. However, these atoms can only be studiedtheoretically with proper accuracy through explicit multi-electron techniques,such as the ones in the proposed method. By comparing results obtainedby the time-dependent R-matrix program with results obtained by thetime-independent R-matrix Floquet program, we will furthermore developunique insight into the detailed atomic dynamics in strong laser fields.Following the initial investigation of the behaviour of atoms in ultra-short pulses,we will continue the development of the codes towards the investigation ofprocesses in which two electrons are ejected. These processes will be ofincreasing interest in the coming years due to new free-electron laser facilities,which will provide high-intensity X-ray radiation. When atoms are subjected tosuch radiation, several electrons can be emitted simultaneously. The developmentof a computer code capable of describing double ionization of general atoms inintense light fields will thus provide a massive boost to all research exploiting thesenew X-ray radiation facilities.

我们旨在开发理论和相关的计算机程序，描述Anultra-short激光脉冲中一般原子的时间相关动力学。当前的技术允许创建持续时间可比的光脉冲与将其带到原子轨道的时间。通过将原子施加在这些矮个腔中，可以调整电子运动并将原子控制到前所未有的程度。我们的目的是开发一种可用于准确预测整个多电子原子的理论。为此，我们组合了多电子原子理论，例如R-Matrix理论，依赖于时间的数值技术，以获取一种用于原子的新方法：时间依赖于时间依赖的R-Matrix理论。我们将开发大量的，新的计算程序，其中包含数千条代码，这些代码利用了由theapplicants开发的现有程序，并以我们在开发新程序的专业知识为基础上建立了一个理论原子理领域的世界领先小组。该程序将重大计算资源，因此将开发的代码将用于中端平行计算机。直接研究将集中于新生趋势的贵族天然气原子，因为这些原子是最经常使用的原子中，这些原子通常是在最先进的Artshort-short-short-short-pulse实验中使用的原子。但是，这些原子只能通过明确的多电子技术（例如提出方法中的原子）以适当的精度进行理论研究。 By comparing results obtainedby the time-dependent R-matrix program with results obtained by thetime-independent R-matrix Floquet program, we will furthermore developunique insight into the detailed atomic dynamics in strong laser fields.Following the initial investigation of the behaviour of atoms in ultra-short pulses,we will continue the development of the codes towards the investigation ofprocesses in which two electrons are ejected.由于新的自由电子激光设施，这些过程将在未来几年引起人们的兴趣，这将提供高强度的X射线辐射。当原子受到严重的辐射时，可以同时发出几种电子。因此，计算机代码的开发能够描述一般原子的一般原子光场的双电离化，从而为所有利用这些X射线辐射设施的研究提供了巨大的提升。