huckel-method

There are 2 repositories under huckel-method topic.

  • theochem/ModelHamiltonian

    Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.

    Language:Python2783517

  • jschrier/HuckelTheory

    A package for simplifying Huckel calculations and visualizations using the Mathematica 12 Molecule functionality

    Language:Mathematica8312