Iterative approach for the moment representation of the density-density response function

Paul Ahlert (), Arne Scherrer, Christian Dressler and Daniel Sebastiani
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Paul Ahlert: Institute of Chemistry, Martin-Luther-University Halle-Wittenberg
Arne Scherrer: Institute of Chemistry, Martin-Luther-University Halle-Wittenberg
Christian Dressler: Institute of Chemistry, Martin-Luther-University Halle-Wittenberg
Daniel Sebastiani: Institute of Chemistry, Martin-Luther-University Halle-Wittenberg

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, vol. 91, issue 6, 1-5

Abstract: Abstract 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.

Date: 2018
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DOI: 10.1140/epjb/e2018-90040-x

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