[molpro-user] reference point for moments
KnowlesPJ at cardiff.ac.uk
Sat May 17 07:53:08 BST 2014
Yes, that is correct. Of course it matters only if the overall charge is non-zero.
On 17 May 2014, at 06:36, Karol M. Langner <karol.langner at gmail.com> wrote:
> I saw in the documentation that the default reference point for
> property evaluation with GEXPEC is the origin. Is that also true
> for the dipole moment printed by EXPEC after and SCF?
> written by Karol M. Langner
> Wed May 14 20:57:07 EDT 2014
Prof. Peter J. Knowles
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UK
Telephone +44 29 208 79182 Email KnowlesPJ at Cardiff.ac.uk
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