Details of Grant 

EPSRC Reference:	EP/F011067/1
Title:	HELIUM developments to fully exploit HECToR and beyond.
Principal Investigator:	Taylor, Professor K
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department:	Sch of Mathematics and Physics
Organisation:	Queen's University of Belfast
Scheme:	Standard Research
Starts:	01 October 2007	Ends:	31 March 2009	Value (£):	127,582
EPSRC Research Topic Classifications:	High Performance Computing Light-Matter Interactions
EPSRC Industrial Sector Classifications:	Information Technologies
Related Grants:
Panel History:	Panel Date Panel Name Outcome 16 Apr 2007 HPC Software Development (Science) Announced
Summary on Grant Application Form
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.
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Organisation Website:	http://www.qub.ac.uk