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.
Features
- solution of two-electron problem in central potential (electron scattering, photoionization)
- OpenMP-, OpenCL- and MPI-parallelized
- written in standard C++17
- independent of commercial libraries (only free libraries used, e.g. OpenBLAS, CLN or GSL).
Categories
PhysicsFollow Hex
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