# CCL: Book on solid state / surface simulations

*From*: Jeff Hammond <jeff.science-,-gmail.com>
*Subject*: CCL: Book on solid state / surface simulations
*Date*: Fri, 01 Jun 2007 07:57:37 -0500

Sent to CCL by: Jeff Hammond [jeff.science/./gmail.com]
Herbert,
Four articles from low to high level:
"Computational Nanoscience: Do It Yourself!" (available online)
http://www.fz-juelich.de/nic-series/volume31/
has at least three review/tutorial articles of interest
Solid State Physics 54, 1-218 (2000) (available online)
"Quasiparticle calculations in solids"
by Aulbur, Jonsson, Wilkins,
http://www.physics.ohio-state.edu/~wilkins/vita/gw_review.ps
Rev. Mod. Phys. 64, 1045 (1992)
M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulo

`"Iterative minimization techniques for ab initio total-energy
``calculations: molecular dynamics and conjugate gradients"
` Rev. Mod. Phys. 74, 601 - 659 (2002)
Giovanni Onida, Lucia Reining, and Angel Rubio.

`"Electronic excitations: density-functional versus many-body
``Green’s-function approaches"
`

`Textbooks rarely contain practical information, but these are two good
``ones nonetheless:
` Atomic and Electronic Structure of Solids by Efthimios Kaxiras

`Electronic Structure: Basic Theory and Practical Methods by Richard M.
``Martin
` Although you will probably use another program, this may still be useful:
http://dft.physics.cornell.edu/minicourse/
Best,
Jeff
Herbert Fruchtl herbert.fruchtl ~ st-andrews.ac.uk wrote:

Sent to CCL by: Herbert Fruchtl [herbert.fruchtl%x%st-andrews.ac.uk]

`While we are discussing books: Can somebody recommend a book or review
``article on computational chemistry of periodic systems? What I am
``interested in is a comparison of (mainly DFT) methods (plane waves,
``LAPW, periodic LCAO, different kinds of pseudopotentials, etc.).
`

`While an understanding of the underlying theory is of course
necessary,
``I am more interested in practical aspects (What systems are these
``methods good for? What are they NOT good for? How large a unit cell can
``be treated?). Any recommendations?
` Herbert