orbitals

Hydrogen electron orbitals, and the software to render them.

A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.

Make interactive scatterplots of atomic orbitals and animate them.

Source code of the Hydrogen Atom Orbitals app for Android

Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.

A program for Maximum Bonding Fragment Orbital (MBFO) analysis

Python script to visualize spherical harmonics.

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

Computations with orbital graphs in GAP

Visualization of the hydrogen atom orbitals using the analytical solution of the time independent Schrodinger equation for the hydrogen atom

🌱 Computational SI for the publication 'INSERT NAME.' doi:

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.

An ai powered modern cli tool to generate end to end production ready application.

Hartree fock method implementation

Changes the phases in a Gaussian cube file

An advanced interactive Python application for visualizing atomic orbitals, spherical harmonics, and wave function dynamics. This tool provides 2D/3D visualizations, animation of quantum transitions, and high-quality exports.

3D atomic and molecular orbitals for undergrad MO theory: hydrogenic AOs, Huckel pi systems, diatomic MO diagrams.