Subject: External fields in Gaussian98

From: Dario Narducci <[email-masked]>
Date: Mon, 14 Jan 2002 10:02:27 +0100

Hello.

I'm about to use Gaussian98 to make simulations on the electronic structure 
of molecules in an external electrical field.

I'm slightly confused about the way Gaussian98 applies the field. The Field 
keyword allows the application of external multipoles, but the only 
parameter the user is allowed to set is the electric dipole field value. 
Now, as far as I know, the field generated by a dipole (or by any 
multipole) is not uniform, its actual value being a function of the charges 
of each pole and of its mutual distance. How charges and distances are set 
up by Gaussian (or, equivalently, what field are we talking about?

Thanks to all

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                Prof. Dario Narducci, Univ. of Milano Bicocca
         Dept. of Materials Science, v. R. Cozzi 53, I-20125 Milano
     ph. +39-02-6448-5137, fax -5400, mailto:[email-masked]
                      http://www.mater.unimib.it/narducci/
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