I would like to generate wavefunctions as functions of spatial coordinates (X, Y, Z) using Gaussian G09 and then visualize them. How might I go about doing this? I am using Linux and my preferred visualization software is Gmolden.
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$\begingroup$ What exactly do you mean by functions of spatial coordinates? The output from Gaussian (or any other QM software) would already express each orbital in X, Y and Z coordinates, and visualisation softwares display them in 3D too, by default. Do you mean to study the wavefunction along one coordinate only? $\endgroup$– S R MaitiSep 14, 2021 at 9:52
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