Make interactive scatterplots of atomic orbitals and animate them.
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Updated
Mar 25, 2024 - Python
Make interactive scatterplots of atomic orbitals and animate them.
Computations with orbital graphs in GAP
Source code of the Hydrogen Atom Orbitals app for Android
Use Blender's powerfull raytracing engine to plot atomic wavefunctions and probability densities in 3D space.
A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.
A program for Maximum Bonding Fragment Orbital (MBFO) analysis
Hydrogen electron orbitals, and the software to render them.
Code to generate a 2D/3D orbital of any element using Numpy and Matplotlib python modules, Bohmian's Trajectory, and the Schrödinger equation.
Hartree fock method implementation
Here we are trying to model & simulate the band structures (tightbinding, FDTD, PWE (plane wave expansion), Density Functional theory (DFT), ...)
Visualization of the hydrogen atom orbitals using the analytical solution of the time independent Schrodinger equation for the hydrogen atom
Python script to visualize spherical harmonics.
Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.
Changes the phases in a Gaussian cube file
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