I have been trying to do calculations on (HBr) ^ [2+] molecular dication.
I'd like to use a the best correlation-adapted basis (*V5Z*) available. I have tried basis=AV5Z basis=V5Z basis=V5Z-DK (and the other aliases) but my installation of MOLPRO doesn't seem to be locate these. I can use the VQZ, AVQZ, however. Any help appreciated. Cheers, Patrick. --------------------------------------------- Dr Patrick Jemmer Senior Lecturer in Mathematics Division of Mathematics & Statistics School of Informatics Northumbria University NE1 8ST UK telephone: +44(0) 191-227-4714 facsimile: +44(0) 191-227-3362 [EMAIL PROTECTED]
