https://doi.org/10.1140/epjb/e2018-90040-x
Regular Article
Iterative approach for the moment representation of the density-density response function★
Institute of Chemistry, Martin-Luther-University Halle-Wittenberg,
Von-Danckelmann-Platz 4,
06120
Halle (Saale), Germany
a e-mail: daniel.sebastiani@chemie.uni-halle.de
Received:
23
January
2018
Received in final form:
16
March
2018
Published online: 4
June
2018
The linear density-density response function χ(r,r′) can be transformed from its Eigensystem representation into a computationally more efficient moment expansion representation using a suitable unitary transformation. Here, we propose an iterative approach for the direct calculation of this moment representation without resorting to either the direct-space or the conventional Eigensystem representation.
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2018