Subject: periodic boundary conditions

From: "H. Georg Schreckenbach" <schrecke<<at>>cc.UManitoba.CA>
Date: Thu, 19 Feb 2004 13:18:03 -0600

Dear CCL,

I am looking for recommendations regarding literature about band-structure
calculations. Specifically, we are coming from the "molecular electronic
structure" background, and we want to branch out into extending some of our
methods, applications and ideas into extended structures that require periodic
boundary conditions. For that, we are looking for introductory material that
explains to us the basic concepts etc. To give an example, we are thinking about
questions such as, what is the equivalent of the total energy expressions that
are the basis for most molecular methods?

I appreciate your help! Please reply directly to me because I am not currently
subscribed to the list. I will definitely post a summary.

Best regards, Georg Schreckenbach

-- 
Dr. H. Georg Schreckenbach
Department of Chemistry, University of Manitoba
Winnipeg, MB, R3T 2N2, Canada
phone: (+204) 474-6261
FAX: (+204) 474-7608
http://home.cc.umanitoba.ca/~schrecke/

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