W:MNDO-PSDCI

From: "Antonio, J, Hernandez" <pescaomayor () gmail.com>
Subject: W:MNDO-PSDCI
Date: Wed, 18 May 2005 08:41:54 -0400

Dear Colleagues:
 I am trying to use MNDO-PSDCI by changing the standard MNDO parameters in
 MOPAC
 [see caption of figure 3 in: "Martin&Birge, J.Phys.Chem.A
 102(1998)852"
 for MNDO-PSDCIs Carbon and Oxygen parameters and nobilities and for the
 repulsion correlation length. See also Kusnetzow et al. for Si MNDO-PSDCIs
 parameters].
 Until now, I have not been able to find in the literature MNDO-PSDCI parameters
 for any other atom!!. Where can I find the missing parameters? Or even better,
 is there a MNDO-PSDCI code I could use?.
 Best Regards: Antonio J. Hernandez.