TURBOMOLE Modules > Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools

atomic electron density

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dinos:
Is it possible with turbomole to calculate the superposition of atomic charge densities of a given structure?

turbomaster:
Hi,

No, I don't know anything about such option. Perhaps in the future we will add an option
to start SCF from a superposition of atomic densities. Its on a "to do" list ...

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