wavefunctions

There are 9 repositories under wavefunctions topic.

  • TBTK

    dafer45/TBTK

    A C++ library for solving second-quantized Hamiltonians

    Language:C++10110524

  • ssebastianmag/hydrogen-wavefunctions

    Hydrogen wavefunction modeling and electron probability density plots

    Language:Jupyter Notebook30216

  • AngusNicolson/Hydrogen-Radial-Wavefunctions

    Python code to calculate and display the radial wavefunction and associated probabilities of Hydrogen. This is a two particle system so can be solved exactly.

    Language:Python9301

  • ihavalyova/DiAtomic

    Software package for performing various computations of diatomic molecules.

    Language:Python5102

  • bast/numerov

    Compute vibrational levels, wavefunctions, and expectation values using the Numerov-Cooley algorithm.

    Language:Python440

  • mqcomplab/GemCC_Data

    Results from newly proposed Geminal-based Coupled Cluster wavefunctions with 1-reference orbitals for strongly correlated systems.

    4201

  • EdwardCalzia/Orbital-Visualisation

    Code to generate a 2D/3D orbital of any element using Numpy and Matplotlib python modules, Bohmian's Trajectory, and the Schrödinger equation.

    Language:Python3101

  • bakhshiali/nanophotonic-simulation

    Here we are trying to model & simulate the band structures (tightbinding, FDTD, PWE (plane wave expansion), Density Functional theory (DFT), ...)

    Language:Jupyter Notebook1100

  • dom128/Atomic-Orbitals-in-Blender

    Use Blender's powerfull raytracing engine to plot atomic wavefunctions and probability densities in 3D space.

    1100