Coordinates, modes and maps for the density functional
核理论
2009-11-11 v2 数学物理
math.MP
原子物理
摘要
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.
引用
@article{arxiv.nucl-th/0504075,
title = {Coordinates, modes and maps for the density functional},
author = {B. G. Giraud and A. Weiguny and L. Wilets},
journal= {arXiv preprint arXiv:nucl-th/0504075},
year = {2009}
}
备注
15 pages, 9 figures