From owner-chemistry@ccl.net Thu Oct 28 06:59:01 2010
From: "makowskm!^!chemia.uj.edu.pl" <owner-chemistry]|[server.ccl.net>
To: CCL
Subject: CCL:G: MP2 Calculation
Message-Id: <-43026-101028063634-27985-nzeXCRrDdzyEbVeo7mHnaw]|[server.ccl.net>
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Date: Thu, 28 Oct 2010 12:36:26 +0200 (CEST)
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Sent to CCL by: makowskm^^chemia.uj.edu.pl

>
> Sent to CCL by: "Leonardo Moreira da Costa" [leomdcosta a yahoo.com.br]
> I have a very simple doubt.
>
> It is said in the Gaussian help (C:\G03W\help\k_maxdisk.htm), about
> maxDisk,  that MP2 energies and gradients obey MaxDisk, which must be at
> least 2ON2.
>
> It is said that, but they do not specify what are the ''O'' and ''N''
> parameters of the formula.
>
> Anyone can, please, explain me what are these two parameters? I have
> looked for it in many resources, but I did not obatin a certain meaning
> (number of the electrons, orbitals, atoms, ...).

O denotes the number of occupied orbitals, N refers to the number of basis
functions.

Regards,
Marcin