CCL:G: Electronic Part of MEP

From: Pierre Mignon <pmignon*o*vub.ac.be>
Subject: CCL:G: Electronic Part of MEP
Date: Thu, 23 Feb 2006 16:25:18 +0100 (CET)

 Sent to CCL by: Pierre Mignon [pmignon#vub.ac.be]
 Dear,
 With Gaussian it is quite simple. Use the keyword prop=potential and iop(6/17=2)
 then at the end specify the points where you want the values to be calculated.
 Regards,
 Pierre.
 >Sent to CCL by: =?iso-8859-1?Q?Carlos_C=E1rdenas?=
 [car.cardenas{:}uandresbello.edu]
 >
 >Dear all
 >
 >Anybody know how to calculate the electronic part of molecular electrostatic
 >potential with any standart package (Gauusian,ADF,NWchem...)? I would not
 >programig, if is not extrictly necessary.
 >
 >Best for all,
 >
 >Carlos Cárdenas>
 >
 >
 >
 Mignon Pierre PhD
 Free University of Brussel (VUB)
 Dienst Algemene Chemie (ALGC)
 Pleinlaan, 2
 1050 Brussels
 Belgium
 Tel + 32 2 629 35 80
 Fax + 32 2 629 33 17
 e-mail pmignon**vub.ac.be