IPCM and SCIPCM

From: <radkie (- at -) mousy.chemie.unibas.ch>
Subject: IPCM and SCIPCM
Date: Mon, 15 Apr 1996 13:36:21 +0200 (DFT)

 Dear members,
 Could someone please explain to me the difference between the IPCM and
 SCIPCM solvation models in Gaussian94, or could someone please give me
 references that explain this difference?  I have read the Gaussian manual
 which states that IPCM uses the isodensity surface for the cavity, while
 SCIPCM uses a self-consistent cavity based on the isodensity surface, but
 I am not sure what this means, nor why the single point calculation outputs
 for these two models are so very different.
 Also, I have only been able to optimize anionic structures at dielectrics of
 5 or less using the SCIPCM model.  I would appreciate it if someone could
 suggest ways to get these calculations to optimize at higher dielectric
 constants.
 Many thanks,
 Jen
 --
 Jennifer Radkiewicz
 Department of Chemistry
 University of California, Los Angeles
 email: jlr (- at -) chem.ucla.edu