Subject: C6 (+C8) coefficients for open-shell atoms?

From: Dave Price <[email-masked]>
Date: Wed, 11 Apr 2001 10:37:19 -0100

Fellow computational chemists,
	Does anyone have a program that allows one to calculate van
der Waals C^6 (and possibly C^8) coefficients for open shell atoms
such
as metal atoms/ions and for pairs of atoms such as metal ions +
hydrogen
atom? I know that ADF can do such things for closed shell systems such
as He + H_2, but I need a couple of open shell cases as well.
Cheers,
		Dave
 
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Dr. David W. Price MA CChem MRSC      Tel: +44 (0)118 9875123  extn
7415
Department of Chemistry,              Fax: +44 (0)118 9316331
University of Reading,                mailto:[email-masked]
Whiteknights, 
READING
RG6 6AD 
U.K.
 
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