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

Author

Listed:
  • 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)

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.

Suggested Citation

  • Paul Ahlert & Arne Scherrer & Christian Dressler & Daniel Sebastiani, 2018. "Iterative approach for the moment representation of the density-density response function," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 91(6), pages 1-5, June.
    • Handle: RePEc:spr:eurphb:v:91:y:2018:i:6:d:10.1140_epjb_e2018-90040-x
    DOI: 10.1140/epjb/e2018-90040-x
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