CCL: Banquo atoms Vs. Dummy atoms

From: Herbert Fruchtl <herbert.fruchtl-#-st-andrews.ac.uk>
Subject: CCL: Banquo atoms Vs. Dummy atoms
Date: Fri, 06 Mar 2009 14:13:34 +0000

 Sent to CCL by: Herbert Fruchtl [herbert.fruchtl]~[st-andrews.ac.uk]
 Ghost atoms do have basis functions, they just don't have electrons. You need
 them mainly for counterpoise calculations.
 HTH,
   Herbert
 Antonio G. De Crisci antonio.decrisci##utoronto.ca wrote:
 > Sent to CCL by: "Antonio G. De Crisci"
 [antonio.decrisci[#]utoronto.ca]
 > Hi all,
 >
 > Can someone tell me if ghost atoms (Bq) are as innocent as dummy atoms (X)?
 Im aware that Bq atoms dont have basis functions, but does this make it as
 innocent as dummy atoms? If so, why would you need Bq atoms?
 >
 > Thanks,
 > Anthony>
 >
 --
 Herbert Fruchtl
 Senior Scientific Computing Officer
 School of Chemistry, School of Mathematics and Statistics
 University of St Andrews
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