From chemistry-request \\at// ccl.net Fri Jun 27 20:45:19 2003
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Subject: Re: CCL:AIM critical points analysis
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Hello Segio!

These variables mean:

Vnuc - The nuclear potential distribution;
V    - The potential energy density - trace of the stress vector;
L(r) - Just the Laplcian of RHO

If you use AIMPACK you can find some interesting information on the
official site:
http://www.chemistry.mcmaster.ca/aimpac/summary/summary.htm


> Dear colleagues,
>
>    I am trying to analyse the critical points for a molecule,
> but I didn't found the exact meaning of some variables as
> L(r), Vnuc(r) and V(r).
>
>           Thank you very much in advance,
>
>                        Sergio Galembeck

  

-- 
Best regards,
  Ivan Fedyanin                          mailto:octy=at=smtp.ru