[molpro-user] DKH in molpro
Kirk Peterson
kipeters at wsu.edu
Wed Nov 5 15:45:32 GMT 2008
John,
it uses a point charge nuclear model.
-Kirk
On Nov 4, 2008, at 12:05 PM, John Travers wrote:
> Dear Molpro users:
>
> do you know whether the DKH hamiltonain in molpro used a
> point charge nuclear model or finite nuclear size approximation?
>
> Thanks
>
> JT
>
>
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