A variation-iteration method for the massively parallel environment

The linear algebraic/variation-iteration method developed for electron-molecule scattering is re-cast in a form which is efficient and easily adapted to massively parallel computation. The method relies on a dual space formalism in which the action of the potential on the wavefunction of previous iterate is computed in co-ordinate space and the resulting product decomposed in a Legendre series. The Legendre decomposition leads to a set of uncoupled radial equations for each (1,m) pair. The decomposition is data parallel and may be efficiently and rapidly computed in both vector and parallel environments. Strategies for reducing the number of (1,m) pairs will be discussed at the meeting.