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P-Orbital-Simulation

An interactive Python tool to visualize electron orbitals (s, p, d) in 3D space.
Great for chemistry students and teachers to understand orbital shapes and electron density distribution.


Features

  • 3D visualization of s, p, and d orbitals
  • Color-coded orbitals based on phase
  • Interactive rotation using matplotlib
  • Mathematical representation of orbitals using spherical harmonics

How It Works

  • Electron orbitals are represented as wavefunctions ψ(r, θ, φ) from Schrödinger equation
  • The probability density is |ψ(r, θ, φ)|²
  • Different orbitals:
    • s-orbital: spherical symmetry
    • p-orbital: dumbbell-shaped along x, y, or z axes
    • d-orbital: cloverleaf or donut shapes

The visualization uses isosurfaces to represent regions of constant probability density, giving a clear 3D shape of the orbital.


Requirements

Flash the python program download the library done!

pip install numpy matplotlib ipywidgets

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