fbaravalle / schroedinger

A Schroedinger Equation solver in C++, for collaborative purpose

Schroedinger Solver

This is a first instance of a Schroedinger Solver that makes use of the Numerov algorithm to numerically calcolate the solution of the time-indepedent Schroedinger equation in position space, treated as second order differential equation.

The potential is embedded in the code as a class, together with the basis. At the moment the implementation still going on to realize an extremely versatile object oriented code. But one-dimensional worker at the moment is working just fine.

Output are the energy and the resulting wavefunction.

Numerov Solver

Numerov solver takes in input an energy bracket in which to look for solution. Increasing from the minimum energy, it takes the lowest energy non-trivial solution as the one that respects boundary conditions.

Requisites

• compiler which fully supports C++17, due to src implementation of Hermite polynomials in std available in the latest implementations of C++17. That is:
  • g++ version newer than 6.0, due to src implementation of Hermite polynomials in std available in C++17.
  • clang version > 9.0 (there are reports of it working for 5.0)
  • Intel Compilers version > 18.0
• Git
• CMake

How to build

From the CLI navigate into project's directory, then run:

$ mkdir build
$ cd build
$ cmake ..
$ make

You'll find the executable file in Schroedinger/build/bin/.

Contribute

To contribute, considers the issues and the to-do lists. Good first issues are tagged appropriately, depending on contribution aspirations there are issues with different requirements of physics and computer science. Watch the introduction video video (IT) and contact Andrea Idini. Priviledged channel for contributions is the telegram group @scienza.