Download
RSchr-5 calculates the smallest eigenvalues of the one-electron Schrödinger equation.
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).
Features
- Finite Element Method
- Schrödinger equation
- MPI
- C++
Project Samples
License
GNU General Public License version 3.0 (GPLv3)Follow RSchr-5
Other Useful Business Software
Our Free Plans just got better! | Auth0
You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your security. Auth0 now, thank yourself later.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of RSchr-5!