CCL:G: CASMP2 (G03)

 Sent to CCL by: "Alex A. Granovsky" [gran+/-classic.chem.msu.su]
 > With all respect to Gaussian capabilities the better (more efficient and
 > powerful) choices would be CASPT2 in Molcas (Molpro) or MRMBPT in Gamess.
 Note that PC GAMESS v. 7.0.2 and above has especially efficient implementation
 of
 MCQDPT2 theory.
 Best regards,
 Alex Granovsky
 ----- Original Message -----
 > From: "makowskm a chemia.uj.edu.pl"
 <owner-chemistry!=!ccl.net>
 To: "Granovsky, Alex, A. " <gran!=!classic.chem.msu.su>
 Sent: Wednesday, May 16, 2007 3:47 PM
 Subject: CCL:G: CASMP2 (G03)
 >
 > 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>
 >
 >
 >