Reducing the dimensionality of grid based methods for electron-atom scattering calculations below ionization threshold
Benda, J.; Houfek, K.
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.
type: | article |
journal: | Computer Physics Communications |
volume: | 213 |
pages: | 46-51 |
year: | 2017 |