A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.
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Updated
Sep 18, 2024 - Python
#
orbitals
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Make interactive scatterplots of atomic orbitals and animate them.
toml
cross-platform
small
scientific-visualization
tiny
quantum-chemistry
scatter-plot
cli-app
simulations
matplotlib
plotting
visualizations
interactive-visualizations
schrodinger-equation
3d-animation
scatterplot
quantum-physics
3d-plot
orbitals
wavefunction
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Updated
Mar 25, 2024 - Python
Hydrogen electron orbitals, and the software to render them.
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Updated
May 20, 2023 - Python
Code to generate a 2D/3D orbital of any element using Numpy and Matplotlib python modules, Bohmian's Trajectory, and the Schrödinger equation.
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Updated
Apr 4, 2023 - Python
Python script to visualize spherical harmonics.
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Updated
Jul 27, 2020 - Python
Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.
python
dft
python3
computational-chemistry
quantum-chemistry
population
output
orca
orbitals
orca-quantum-chemistry
loewdin
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Feb 7, 2019 - Python
Changes the phases in a Gaussian cube file
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Updated
Oct 28, 2018 - Python
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