Coordinates, modes and maps for the density functional
Giraud, B. G. ; Weiguny, A. ; Wilets, L.
arXiv, 0504075 / Harvested from arXiv
Text on arXiv
Special bases of orthogonal polynomials are defined, that are suited to expansions of density and potential perturbations under strict particle number conservation. Particle-hole expansions of the density response to an arbitrary perturbation by an external field can be inverted to generate a mapping between density and potential. Information is obtained for derivatives of the Hohenberg-Kohn functional in density space. A truncation of such an information in subspaces spanned by a few modes is possible. Numerical examples illustrate these algorithms.
Publié le : 2005-04-26
Classification:  Nuclear Theory,  Mathematical Physics,  Physics - Atomic Physics 
@article{0504075,
     author = {Giraud, B. G. and Weiguny, A. and Wilets, L.},
     title = {Coordinates, modes and maps for the density functional},
     journal = {arXiv},
     volume = {2005},
     number = {0},
     year = {2005},
     language = {en},
     url = {http://dml.mathdoc.fr/item/0504075}
}

Giraud, B. G.; Weiguny, A.; Wilets, L. Coordinates, modes and maps for the density functional. arXiv, Tome 2005 (2005) no. 0, . http://gdmltest.u-ga.fr/item/0504075/