The script PlotHydrogenMolecularOrbital.m is a stand-alone sandbox for hydrogen electronic orbitals. Wavefunctions are created using Laguerre and Legendre polynomials, exponential functions, and the Bohr radius. The result is an easy way to plot orbitals with realistic sizes and density distributions.
To get started simply run any of the included scripts. Each script should contain all necessary functions. Each file uses PlotHydrogenMolecularOrbital.m to create and plot simple hybrid orbitals along with basic s, p, d, and f orbitals. These should suffice for most basic users simply looking for a visualization of orbitals.
PlotHydrogenMolecularOrbital.m by default plots a 3d_z^2 orbital.
For advanced users, any of the wavefunction outputs can be converted to DX-format files using mat2dx.m (check my file exchange), which can be used to overlay the orbitals with other atomic/orbital data. Don't be afraid to send an email should there be an issue with formats or use.
Evan (2021). plot Hydrogen Atom Molecular Orbital (https://www.mathworks.com/matlabcentral/fileexchange/44604-plot-hydrogen-atom-molecular-orbital), MATLAB Central File Exchange. Retrieved .
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