Re: CCL:AIM critical points analysis
- From: octy <octy=at=smtp.ru>
- Subject: Re: CCL:AIM critical points analysis
- Date: Sat, 28 Jun 2003 04:43:47 -0700
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