Subject: Re: CCL:periodic boundary conditions

From: Szieberth Denes <dino!at!iris.inc.bme.hu>
Date: Fri, 20 Feb 2004 01:09:23 +0100 (CET)

>
> 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.

Some papers I have found useful:

a "for beginners" one:
Gillan MJ
     The virtual matter laboratory
     CONTEMP PHYS 38 (2): 115-130 MAR-APR 1997

and two "serious" ones:

Jones & Gunnarsson Rev Mod Phys 91 (1989) 689
M. Payne et al Rev Mod Phys 64 (1992) 1045

cheers
dino