Re: CCL:Slater basis sets
> From: Richard Muller <rpm -8 at 8- wag.caltech.edu>
> I'm doing some QMC calculations in which I would like to use Slater
> (rather than Gaussian) basis sets. Can anyone recommend a good
> reference for STO basis sets of different quality? I have the STO basis
> sets that were used for the STO-NG (which can be found in Hehre,
> Stewart, Pople JCP 51,2657 (1969), and Hehre, Ditchfield, Stewart,
> Pople JCP 52, 2769 (1970)), but I don't have any others. Can any of the
> CCLers out there point me to a good place to look? Thanks in advance.
Koga et al have systematically improved the classical STO basis sets
by Clementi-Roetti, McLean, etc. Look for the bases and references in
A. J. Thakkar's web page. Particularly:
http://www.unb.ca/chem/ajit/f_download.htm
Regards,
Victor Lua~na