Regularized Density-Functional Analysis

Project Information

REGAL

Grant agreement ID: 101041487

DOI

10.3030/101041487

EC signature date 4 February 2022

Start date 1 September 2022

End date 31 August 2027

Funded under

• European Research Council (ERC)

Total cost

€ 1 462 766,00

EU contribution

€ 1 462 766,00

Coordinated by

OSLOMET - STORBYUNIVERSITETET
Norway

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Documents, reports (1)

Drafting of Data Managment Plan

Drafting of Data Management Plan

Publications

Peer reviewed articles (7)

Quantum-Electrodynamical Density-Functional Theory Exemplified by the Quantum Rabi Model

Author(s): Vebjørn H. Bakkestuen, Vegard Falmår, Maryam Lotfigolian, Markus Penz, Michael Ruggenthaler, Andre Laestadius
Published in: The Journal of Physical Chemistry A, Issue 129, 2025, ISSN 1089-5639
Publisher: American Chemical Society (ACS)
DOI: 10.1021/ACS.JPCA.4C07690

Journal of Chemical Physics

Author(s): Nicolas Tancogne-Dejean; Markus Penz; Andre Laestadius; Mihály A. Csirik; Michael Ruggenthaler; Angel Rubio
Published in: Journal of Chemical Physics, 2024, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.48550/ARXIV.2203.16980

Density-potential inversion from Moreau–Yosida regularization

Author(s): Markus Penz; Mihály A Csirik; Andre Laestadius
Published in: Electronic Structure, 2023, ISSN 2516-1075
Publisher: IOPScience
DOI: 10.48550/ARXIV.2212.12727

Thermodynamic limit for the magnetic uniform electron gas and representability of density-current pairs

Author(s): Mihály A. Csirik, Andre Laestadius, Erik I. Tellgren
Published in: Journal of Mathematical Physics, Issue 65, 2024, ISSN 0022-2488
Publisher: AIP Publishing
DOI: 10.1063/5.0198786

Journal of Chemical Physics

Author(s): Andre Laestadius; Mihály A. Csirik; Markus Penz; Nicolas Tancogne-Dejean; Michael Ruggenthaler; Angel Rubio; Trygve Helgaker
Published in: Journal of Chemical Physics, 2024, ISSN 0021-9606
Publisher: APS
DOI: 10.48550/ARXIV.2310.19144

The Structure of the Density-Potential Mapping. Part II: Including Magnetic Fields

Author(s): Markus Penz; Erik I. Tellgren; Mihály A. Csirik; Michael Ruggenthaler; Andre Laestadius
Published in: ACS Physical Chemistry Au, 2023, ISSN 2694-2445
Publisher: ACS
DOI: 10.48550/ARXIV.2303.01357

The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory

Author(s): Markus Penz; Erik I. Tellgren; Mihály A. Csirik; Michael Ruggenthaler; Andre Laestadius
Published in: ACS Physical Chemistry Au, 2023, ISSN 2694-2445
Publisher: ACS
DOI: 10.48550/ARXIV.2211.16627