[molpro-user] Using Slater functions
Peter Knowles
knowlespj at Cardiff.ac.uk
Wed Jun 7 14:29:33 BST 2006
Dear all,
Although this code certainly exists, it is not part of the distributed version
of Molpro. It might however be that at some later time, in particular after
some proper testing, it will be made available.
Regards,
Peter Knowles
--
Prof. Peter J. Knowles
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff
CF10 3AT, UK
Telephone: +44 29208 79182 Fax: +44 2920874030
Email: KnowlesPJ at Cardiff.ac.uk Web:
http://www.cf.ac.uk/chemy/staff/knowles.html
>>> <reinh at lct.jussieu.fr> 06/06/2006 15:30:07 >>>
Dear all,
does anybody know how to address the Slater-integral part
in MOLPRO, i.e. the integral evaluation routines of Lopez, Rico
et al?
Any help would be great!
Yours,
Peter Reinhardt
--
v v v v v v v v v v v v v v v v v v v v v
> Peter Reinhardt | <
> Lab. Chimie Theorique | <
> Universite Paris VI | <
> 4 place Jussieu, case 137 | Tel.: +33(0)1 44 27 9657 <
> F -- 75252 Paris, France | Fax.: 4117 <
> email: Peter.Reinhardt at lct.jussieu.fr <
> Web: http://www.lct.jussieu.fr/reinhardt <
^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
More information about the Molpro-user
mailing list