links and resources on real-space methods

these pages contain some links to sources of information related to real space dft in general as well as other web pages on electronic structure methods and the like. this collection originates from my search of the web and is my no means complete. please let me know if something is missing.
thanks! (rs)

misc on electronic structure theory

CPMD
THE cpmd program so to speak. a lot of fft, though :-)

SIEASTA
from their page: "Siesta (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is both a method and its computer program implementation, to perform electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids."

to me this code is a very interesting concept. it uses atom centered, numeric but local basis functions. some of the integrals (hartree, xc) are calculated on uniform real space grids

external link disclaimer: the links on this webpage are for your information only. we are not responsible for the content of the webpages refered to. please let us know if a link is broken. rochus (edited 02.10.02)