- From: "Antonio, J, Hernandez" <pescaomayor ()
- Subject: W:MNDO-PSDCI
- Date: Wed, 18 May 2005 08:41:54 -0400
I am trying to use MNDO-PSDCI by changing the standard MNDO parameters in
[see caption of figure 3 in: "Martin&Birge, J.Phys.Chem.A
for MNDO-PSDCIs Carbon and Oxygen parameters and nobilities and for the
repulsion correlation length. See also Kusnetzow et al. for Si MNDO-PSDCIs
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.