RSchr-5
Solves one-electron Schrödinger equation, with SLEPc and PETSc
...The solved problem is defined on the finite domain, which is a box. The problem is solved with the zero Dirichlet boundary conditions.
The implemented algorithm uses Finite Element Method with B-splines as basis functions. Disctretization leads to generalized eigenvalue problem.
Program RSchr-5 solves the generalized eigenvalue problem by algorithms implemented in SLEPc amd PETSc libraries. It uses Krylov-Schur algorithm from SLEPc library.
The program is implemented in C++.
The implementation is based on Message Passing Interface (MPI).