Changes the phases in a Gaussian cube file
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Updated
Oct 28, 2018 - Python
Changes the phases in a Gaussian cube file
Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.
Python script to visualize spherical harmonics.
Visualization of the hydrogen atom orbitals using the analytical solution of the time independent Schrodinger equation for the hydrogen atom
Here we are trying to model & simulate the band structures (tightbinding, FDTD, PWE (plane wave expansion), Density Functional theory (DFT), ...)
Hartree fock method implementation
Code to generate a 2D/3D orbital of any element using Numpy and Matplotlib python modules, Bohmian's Trajectory, and the Schrödinger equation.
Hydrogen electron orbitals, and the software to render them.
A program for Maximum Bonding Fragment Orbital (MBFO) analysis
A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.
Use Blender's powerfull raytracing engine to plot atomic wavefunctions and probability densities in 3D space.
Source code of the Hydrogen Atom Orbitals app for Android
Computations with orbital graphs in GAP
Make interactive scatterplots of atomic orbitals and animate them.
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