A C++ library for solving second-quantized Hamiltonians
Hydrogen wavefunction modeling and electron probability density plots
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.
Software package for performing various computations of diatomic molecules.
Results from newly proposed Geminal-based Coupled Cluster wavefunctions with 1-reference orbitals for strongly correlated systems.
Compute vibrational levels, wavefunctions, and expectation values using the Numerov-Cooley algorithm.
Code to generate a 2D/3D orbital of any element using Numpy and Matplotlib python modules, Bohmian's Trajectory, and the Schrödinger equation.
Here we are trying to model & simulate the band structures (tightbinding, FDTD, PWE (plane wave expansion), Density Functional theory (DFT), ...)
Use Blender's powerfull raytracing engine to plot atomic wavefunctions and probability densities in 3D space.
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