Plotting 6pz Orbitals with Python and Mayavi: Any Tips or Experience?

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SUMMARY

This discussion focuses on visualizing 6pz orbitals using Python and the Mayavi library. Users are encouraged to utilize Mayavi for 3D plotting, while also considering alternative tools. The radial part of the 6pz orbital simplifies to \(\frac{z}{r}\) in Cartesian coordinates, and the phase can typically be disregarded in visualizations. A reference to a Java-based program for orbital visualization is provided, although it is not directly applicable to Python.

PREREQUISITES
  • Familiarity with Python programming
  • Understanding of quantum mechanics and atomic orbitals
  • Experience with Mayavi for 3D visualization
  • Knowledge of Laguerre polynomials and their applications
NEXT STEPS
  • Explore Mayavi documentation for advanced 3D plotting techniques
  • Research the mathematical properties of Laguerre polynomials
  • Investigate alternative Python libraries for scientific visualization, such as Matplotlib or Plotly
  • Learn about the mathematical representation of atomic orbitals in quantum mechanics
USEFUL FOR

Researchers, physicists, and educators involved in quantum mechanics, as well as developers looking to visualize atomic orbitals using Python.

fk08
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Hello,

does anybody have experience in visualization of the 6pz orbitals? I would like to plot this orbital with python using mayavi or something different.

THX
 
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http://www.falstad.com/qmatom/" a nice little program, for which source code is available. (although Java, not Python)

I don't remember the associated Laguerre polynomial offhand, but for a few pointers,
the radial part simplifies to \frac{z}{r} in Cartesisans, and you can ignore the phase, which is not typically plotted.
 
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