Subject: Extended Huckel

From: "Merethe Sjovoll" <[email-masked]>
Date: Tue, 21 Oct 1997 14:33:38 +0100

Hello everyone,

I am interested in articles on Extended Huckel theory and particularly articles
discussing the weak and strong points of the method. How is the method
performing in the calculation of density of states for instance? I also have
another question:

Is Extended Huckel the same thing as "Tight Binding" which is frequently used
in solid state physics, or is it one out of several tight binding schemes, or
are the methods just different?

Best wishes

Merethe

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From: satyam <[email-masked]>
Date: Tue, 21 Oct 1997 12:44:58 -0400 (EDT)

Merethe,
Here are the references : 
R. Hoffmann : J. Chem. Phys. 39(6) pp:1397-1412 (1963)

Classic Review :

R. Hoffmann, C. Janiak and C. Kollmar  Macromolecules 24(13)
                                       pp:3725-3746  (1991)

There is book: 

Solids and Surfaces :: by Hoffmann. 

Check these can you will answers to your questions.

Satyam

> are the methods just different?

             -----------------------------------------------------
                            Dr. Satyam Priyadarshy
                    107D, Chevron, Department of Chemistry
             University of Pittsburgh, Pittsburgh, PA 15260, U.S.A
             Fon/Fax: +1-412-624-8200(Extn 1217or 8589) / 624-8552
             email: [email-masked] OR [email-masked]
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