Re: CCL:Wanted hard-to-converge SCF jobs

From: michael nolan <maiden &$at$& RedBrick.DCU.IE>
Subject: Re: CCL:Wanted hard-to-converge SCF jobs
Date: Fri, 14 Mar 1997 08:54:07 +0000 (GMT)

 >On Thu, 13 Mar 1997, J. Kong wrote:
 > Dear netters,
 >
 >         We recently deviced some different ways to make the SCF (DFT and
 > HF)  converge easier.  We are looking for real-world molecules which
 > are hard to converge.  Thank you in advance.
 >
 > Jing
 I was trying HF calculations on Fluorenone and 4,5-benzotropone and got
 no convergence whatsoever.
 Perhaps you could try these
 	The imp himself has spoken
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 Michael Nolan (nearly BSc.)			Dublin City University (quantum chem.)
 41 Woodview					Chemistry + german Year 4
 Lucan
 Co. Dublin
 Ireland / Republic of Ireland / ROI / Eire
 Email: Maiden &$at$& redbrick.dcu.ie
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