TURBOMOLE Users Forum

TURBOMOLE Modules => Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools => Topic started by: dinos on February 15, 2007, 07:04:07 PM

Title: atomic electron density
Post by: dinos 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?

Title: Re: atomic electron density
Post by: turbomaster 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 ...