Tuesday, July 23, 2019

quantum chemistry - Why are the radial wavefunction and radial distribution function different?


I'm having trouble understanding the following two graphs, which are the radial wavefunction of the hydrogen 1s orbital and the corresponding radial distribution function:


Graphs of radial wavefunction and radial distribution functions of 1s orbital



Specifically, why is the radial distribution function zero at $r = 0$, but not the radial wavefunction?


Also, why does the radial distribution function have a maximum at the Bohr radius $a_0$?


(Mathematica input for the graphs: Plot[{2*Exp[-x], 4*Exp[-2 x]*x^2}, {x, 0, 6}, AxesLabel -> {r/Subscript[a, 0], Subscript[f, "1s"][r]}, PlotRange -> {{0, 6}, {0, 2}}, PlotLegends -> {"Radial wavefunction", "Radial distribution function"}, BaseStyle -> {FontSize -> 14}, ImageSize -> Medium])




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