HELIUM developments to fully exploit HECToR and beyond.

HELIUM 的开发旨在充分利用 HECToR 及其他功能。

• 批准号: EP/F011067/1
• 负责人: K Taylor
• 金额: $ 16.26万
• 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: 2007
• 资助国家: 英国
• 起止时间: 2007 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FF011067%2F1
• 关键词: HELIUM; developments; fully; exploit; HECToR

x-ray laser light of unprecedented high intensity will soon be available to scientists via x-ray Free Electron Laser sources presently abuilding in the USA, Europe and Japan. x-ray light interacts with matter predominantly via its absorption by the pair of electrons most tightly bound to each nuclear site. The new x-ray light will for the first time be of sufficient intensity to eject both electrons of each tightly bound pair. The present research involves augmenting the world-leading computer code (HELIUM) that models electron pairs around a nuclear site responding instant-to-instant to intense laser light, so that response to the new high intensity x-ray laser light can be handled adequately. This development will have the consequence of bringing the full power of HECToR and future supercomputers into play in addressing new, exciting and topical Science. Gaining the wavefunction solution to the Schrodinger equation in particular geometries can be helpful in making direct comparison with experimental results. We plan a wavefunction transformation from the spherical of HELIUM (by far the most efficient geometry in which to calculate the single-centre wavefunction) to the cylindrical, which will benefit comparison with experimemntal results at all laser wavelengths.

通过目前在美国、欧洲和日本建造的x射线自由电子激光源，科学家们很快就能得到前所未有的高强度x射线激光。X射线光主要通过其被最紧密地结合到每个核位点的电子对吸收而与物质相互作用。新的x射线光将首次具有足够的强度，可以将每个紧密结合的电子对中的两个电子都发射出去。目前的研究涉及增强世界领先的计算机代码（HELIUM），该代码模拟了核站点周围的电子对对强激光的即时响应，以便能够充分处理对新的高强度X射线激光的响应。这一发展将使HECToR和未来超级计算机的全部力量在解决新的，令人兴奋的和热门的科学方面发挥作用。获得特定几何条件下薛定谔方程的波函数解有助于与实验结果进行直接比较。我们计划从氦的球形（迄今为止计算单中心波函数的最有效的几何形状）到圆柱形的波函数变换，这将有利于在所有激光波长下与实验结果进行比较。