A computer code for simulation of electron-hydrogen scattering. Contains three (more or less) finished sub-programs:
(a) “hex-ecs” which solves the Schrödinger equation in the B-spline basis,
(b) “hex-dwba” which computes scattering variables for high energies using the distorted wave Born approximation of the first order and finally
(c) “hex-db” which is a user interface to a plain SQLite database, where the intermediate results are being stored, and which is used to extract derived quantities like a cross section from it.
Several more solvers are being developed right now - namely the second order of Born approximation for use in Born subtraction and the intermediate energy regime, and the relativistic variant of ECS for solution of (n,l,j,m,σ) ⟶ (n',l',j',m',σ') transitions.
Features
- universal electron-hydrogen scattering code (in terms of aplicable partial waves and transitions)
- OpenMP- OpenCL- and MPI-parallelized
- written in standard C++14
- independent of commertial libraries (only free libraries used, e.g. OpenBLAS, CLN or GSL).
Project Samples
