HELIUM developments to fully exploit HECToR and beyond.

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，科学家们很快就可以获得前所未有的高强度x射线激光。x射线光与物质的相互作用主要是通过与每个核位结合最紧密的一对电子的吸收。新的x射线光将首次具有足够的强度来射出每一对紧密结合的电子。目前的研究包括增加世界领先的计算机代码（HELIUM），该代码模拟核场所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。这一发展将使赫克托和未来的超级计算机在解决新的、令人兴奋的和热门的科学问题上发挥最大的作用。获得特定几何形状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。我们计划将氦的波函数从球形（迄今为止计算单中心波函数最有效的几何形状）转换为圆柱形，这将有利于与所有激光波长的实验结果进行比较。

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.