Reducing the dimensionality of grid based methods for electron-atom scattering calculations below ionization threshold

• Published in: Computer physics communications Vol. 213; pp. 46 - 51
• Main Authors: Benda, Jakub, Houfek, Karel
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01-04-2017
• Subjects: B-splines; Electron-hydrogen scattering; Exterior complex scaling; Exterior complex scaling; Electron-hydrogen scattering; B-splines
• ISSN: 0010-4655; 1879-2944
• DOI: 10.1016/j.cpc.2016.12.001

For total energies below the ionization threshold it is possible to dramatically reduce the computational burden of the solution of the electron-atom scattering problem based on grid methods combined with the exterior complex scaling. As in the R-matrix method, the problem can be split into the inner and outer problem, where the outer problem considers only the energetically accessible asymptotic channels. The (N+1)-electron inner problem is coupled to the one-electron outer problems for every channel, resulting in a matrix that scales only linearly with size of the outer grid.