Iterative approach for the moment representation of the density-density response function★
Institute of Chemistry, Martin-Luther-University Halle-Wittenberg,
Halle (Saale), Germany
a e-mail: email@example.com
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