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Optimization of numerical orbitals using the Helmholtz kernel

Published:2017-02-28 Issue:8 Volume:146 Page:084102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Solala Eelis¹^ORCID,Losilla Sergio A.¹,Sundholm Dage¹^ORCID,Xu Wenhua¹^ORCID,Parkkinen Pauli¹^ORCID

Affiliation:

1. Department of Chemistry, University of Helsinki, P.O. Box 55, A.I. Virtanens plats 1, FIN-00014 Helsinki, Finland

Funder

Suomen Akatemia (Academy of Finland)

Magnus Ehrnroothin Säätiö (Magnus Ehrnrooth Foundation)

Alexander von Humboldt-Stiftung (Humboldt Foundation)

Svenska Kulturfonden (Svenska Kulturfondenista)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4976557

Reference46 articles.

1. Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree–Fock and density functional theory

2. Multiresolution quantum chemistry in multiwavelet bases: Hartree–Fock exchange

3. Multiresolution quantum chemistry: Basic theory and initial applications

4. FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

5. Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree–Fock and density functional theory via linear response

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