CCL: Question on calculation of charge center of electrons in a molecule

[Herbert Fruchtl <herbert.fruchtl^_^st-andrews.ac.uk>]

 Sent to CCL by: Herbert Fruchtl [herbert.fruchtl*_*st-andrews.ac.uk]
I don't have time to look at the maths of it, but I think the centre
 of charge
 of the electron density should be identical to the centre of the
 Mulliken
 charges, which would be easy to calculate (analogous to the centre of
 mass).
   Herbert
 Gegham Galstyan gegham * chemie.fu-berlin.de wrote:
>  Sent to CCL by: "Gegham  Galstyan" [gegham^_^chemie.fu-berlin.de]
>  Dear CCLers,
>  I need to calculate the charge center of electrons in a small organic molecule.
>  Is there any program that is able to do that?
>  Many thanks beforehand.
>  Best wishes,
>  Gegham Galstyan
>  Free University Berlin
>  Institut fr Chemie und Biochemie
>  Fabeckstrae 36a
>  14195 Berlin
> mailto: gegham,,chemie.fu-berlin.de>
>  
>  
 --
 Herbert Fruchtl
 Senior Scientific Computing Officer
 School of Chemistry, School of Mathematics and Statistics
 University of St Andrews
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