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Comment by plus

What's being plotted is the amplitude of a "hydrogenic" orbitals Ψ_{n,l,m}(x, y, z)^2. Hydrogenic orbitals are the eigenfunctions (wavefunctions) of the 1-electron 1-nucleus Hamiltonian (many-electron wavefunctions are visually similar to this but due to electron-electron correlation become waaaaay more mathematically complex).

This is a nice system because the result is analytic (ignoring relativistic effects and assuming a point-like nucleus). Specifically, Ψ_{n,l,m}(r, θ, φ) = L_n(r) * Y_l^m(θ, φ), where L_n(r) is the n-th order Laguerre polynomial and Y_l^m(θ, φ) is the m-th spherical harmonic with angular momentum l.

From a chemical perspective, n indicates which electron "shell" you are in, l indicates which type of orbital (l=0 is an s-orbital, l=1 is a p-orbital, l=2 is a d-orbital, etc.), and m indicates which of the different orbitals within that shell having that angular momentum (e.g. p_x vs p_y vs p_z).

parent plus 6 years ago

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