Subject: adding dynamical correlation to CASSCF

From: qftjesus!at!usc.es
Date: Tue, 25 Jan 2005 19:46:18 +0100

Dear netters:

Which are the most appropriate methods to add the dynamical correlation to
CASSCF optimized geometries?

CASPT2 is used frequently, but Gaussian and Gamess do not include it.
Gaussian uses CASSCF-MP2. Is this method reliable?
Gamess uses other methods as the multiconfigurational quasi-degenerate
secondorder perturbation theory (MCQDPT2) and the CASSCF second-order
configuration interaction (CASSCF-SOCI) theory. What about these two methods?

I ask for advices.

Tnanks

Jesus Rodriguez-Otero