Electron Orbitals/Probabilty Clouds View

  • September 03, 2017
  • 49 Downloads
  • 1 Like
  • Blender 2.7x
  • Render: Cycles
  • Creator: niuskir
  • License: CC-BY
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Description:

Included in this blend file is a Python script which calculates a defined number of probability cloud isosurfaces and generates the corresponding meshes at various probability levels (isolevels). Various meshes of orbitals + corresponding probability levels can be generated based on in the script settable combinations of n, l , m, number of contours and mesh resolution.

I have created this python script by combining great work which can be found here: https://github.com/damontallen/Orbitals/blob/master/Hydrogen%20Orbitals%20(Feb%2018,%202014)%20(dynamic%20entry).ipynb

and here:

https://github.com/mutantbob/blender-marching-cubes

This Python script is not an add-on and must be run from the Blender text editor. Values for n, l, m, isolevel, number of contours can be changed in the script for various electron probability isosurfaces.

You will need NUMPY, which comes standard with Blender, and SYMPY which you must install separately in the following Blender folder:

C:\Program Files\Blender Foundation\Blender\2.78\python\lib\site-packages

SYMPY is dependent on one or two additional Python extensions but you will get a message on which ones in the Blender console when you run the script. The easiest way i found to get SYMPY and it's dependents is to install the Anaconda3 environment (https://docs.continuum.io/) and copy the SYMPY + it's dependents from C:\Anaconda3\Lib\site-packages to the Blender site packages folder specified above. The sw versions i ran this script with are: Blender 2.78c, NUMPY 14.1 SYMPY 1.0 The script calculates the orbital cloud(s) using the proper scientific formulas and then uses the Marching Cubes computer graphics algorithm to visualize the electron orbitals at various isosurfaces (probability levels). I am not an experienced Python developer script so am sure it there are many proper and faster ways to get things done. The script is complete in the sense that it generates the orbital in a mesh object in Blender 3D and you can play around changing n.l.m, # of contours & isolevel. Rendering (Cycles) shows you the various probability isosurfaces going into the cloud(s) due to a simple Transparency material. This is a hobby project and done just for the fun of it. If you are interested is this kind of stuff with Blender this can help you started and if you know Blender well the sky is the limit in terms of what you can do with the mesh/object. Hope this is of value to someone. GitHub: https://github.com/Niuskir/Electron-Orbitals-Blender-3D YouTube: https://www.youtube.com/watch?v=v__meVOtgjY

Comments:

  • helium3 profile picture
    helium3

    This is really great, thank you so much for sharing. Nice work :)

    Written October 02, 2017
  • reidh profile picture
    reidh

    Thank You and good luck in future.

    Written October 09, 2017