Subject: magnetic susceptibility

From: <[email-masked]>
Date: Fri, 19 Apr 1996 10:18:41 -0600 (MDT)

Hi everybody,

I am interested in calculations of the magnetic susceptibility,
among other (static) magnetic properties. I know that the
susceptibility is calculated in the IGLO program. I also know
some references for this -- simply read about any IGLO paper.

(good starting points are the various reviews of the IGLO method,
e.g., W. Kutzelnigg et al, in: NMR Basic Principles and Progress,
                           Vol.23, Springer-Verlag, Berlin, 1990,
                           p. 165
      W. Kutzelnigg et al, in: Nuclear Magnetic Shielding and
                           Molecular Structure (W. Tossell, Ed.),
                           NATO ASI Vol. C386, Kluwer, Dordrecht,
                           1993, p. 141
among others. The original references can be traced from the reviews)

My question now is, are there other implementations of the 
susceptibility? I am curious about all kinds of methods, ab initio
(like IGLO), DFT, semi-empirical ...

Thank you, Georg

P.S. I shall summarize to the net as usual if I get any responses.

==============================================================================
Georg Schreckenbach                      Tel: (Canada)-403-220 8204
Department of Chemistry                  FAX: (Canada)-403-289 9488
University of Calgary                    Email: [email-masked]
2500 University Drive N.W.,  Calgary,  Alberta,  Canada,  T2N 1N4
==============================================================================