CCL:G: CASMP2 (G03)
- From: makowskm*chemia.uj.edu.pl
- Subject: CCL:G: CASMP2 (G03)
- Date: Wed, 16 May 2007 13:47:20 +0200 (CEST)
Sent to CCL by: makowskm(-)chemia.uj.edu.pl
Sorry for not really answering your question, but the best advice I can
offer if you want to calculate dynamic correlation on top of CASSCF
(MCSCF) wavefunction is to use another software.
With all respect to Gaussian capabilities the better (more efficient and
powerful) choices would be CASPT2 in Molcas (Molpro) or MRMBPT in Gamess.
With regards,
Marcin Makowski