CCL: Book on solid state / surface simulations



 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