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Author Topic: atomic electron density  (Read 6981 times)

dinos

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atomic electron density
« on: February 15, 2007, 07:04:07 PM »
Is it possible with turbomole to calculate the superposition of atomic charge densities of a given structure?
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turbomaster

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Re: atomic electron density
« Reply #1 on: May 10, 2007, 11:08:55 PM »
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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