Data for "The PairInteraction Toolkit for Modeling Rydberg Physics in Alkali and Alkaline-Earth-Like Atoms"

Version 2.0

Mögerle, Johannes; Hummel, Frederic; Keil, Alicia; Legrand, Tangi; Braun, Eduard Jürgen; Menke, Henri; King, Jonathan; Olmos Sanchez, Beatriz; Hofferberth, Sebastian; Büchler, Hans Peter; Weber, Sebastian, 2026, "Data for "The PairInteraction Toolkit for Modeling Rydberg Physics in Alkali and Alkaline-Earth-Like Atoms"", https://doi.org/10.18419/DARUS-6106, DaRUS, V2

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Description	This dataset includes files and data to reproduce the figures of "The PairInteraction Toolkit for Modeling Rydberg Physics in Alkali and Alkaline-Earth-Like Atoms". The jupyter notebooks reproduce the figures of the paper. The `requirements.txt` file contains the package versions used to run the notebooks. The `data_stark_map.mat` file contains the raw data of the experimentally measured stark map. Inside the `benchmarks` directory are the scripts used to benchmark the PairInteraction version v0.9 and v2. Inside the `benchmarks/cache` directory are the benchmark results obtained on an AMD Ryzen 7 5700G with 64GiB of RAM. (2026-05-18)
Subject	Physics
Keyword	Rydberg Atoms, Rydberg Interactions, Multi-Channel Quantum Defect Theory, Green's Tensor, Open-Source Software
Related Publication	Johannes Mögerle, Frederic Hummel, Alicia Keil, Tangi Legrand, Eduard J. Braun, Henri Menke, Jonathan King, Beatriz Olmos, Sebastian Hofferberth, Hans Peter Büchler and Sebastian Weber, The PairInteraction Toolkit for Modeling Rydberg Physics in Alkali and Alkaline-Earth-Like Atoms (2026).arXiv: 2605.14993
Notes	Use persistent identifiers from Software Heritage ( ) to cite individual files or even lines of the source code.
License/Data Use Agreement	Custom Dataset Terms

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	.python-version Plain Text - 5 B Published Oct 2, 2026 0 Downloads MD5: 789ee353b44223a8ed8031aa190631dd	Access File File Access Public Download Options Plain Text Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
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	data_stark_map.mat MATLAB Data - 9.3 MB Published Oct 2, 2026 2 Downloads MD5: c179472c732d73b57d898b49c0ceff1f	Access File File Access Public Download Options MATLAB Data Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
	effective_hamiltonians.ipynb Jupyter Notebook - 218.7 KB Published Oct 2, 2026 0 Downloads MD5: a7850a9d2caab572d6f0e0486263929e	Access File File Access Public Download Options Jupyter Notebook Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX
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	requirements.txt Plain Text - 1.5 KB Published Oct 2, 2026 1 Download MD5: c4815a22904bf5e254dcd45ea4c74328	Preview "requirements.txt" Access File File Access Public Download Options Plain Text Download Metadata Data File Citation Download EndNote XML Download RIS Download BibTeX

Citation Metadata

Persistent Identifier	doi:10.18419/DARUS-6106
Publication Date	2026-05-21
Title	Data for "The PairInteraction Toolkit for Modeling Rydberg Physics in Alkali and Alkaline-Earth-Like Atoms"
Other Identifier	Software Heritage: swh:1:rel:ec52984f01dff1074d4ac4c9a57a82a6ad1a43f6;origin=https://github.com/pairinteraction/pairinteraction;visit=swh:1:snp:6a34021d34fbc52ab0d88a1c5077cdc89973c01c
Author	https://ror.org/04vnq7t77https://orcid.org/0000-0002-7761-9130 https://ror.org/05vxfdm89https://orcid.org/0000-0003-0180-6615 https://ror.org/03a1kwz48https://orcid.org/0009-0003-1129-8543 https://ror.org/041nas322https://orcid.org/0009-0001-1394-5738 https://ror.org/038t36y30https://orcid.org/0009-0009-5061-3036 https://ror.org/03e21z229https://orcid.org/0000-0001-5245-5400 King, Jonathanhttps://ror.org/05vxfdm89 https://ror.org/03a1kwz48https://orcid.org/0000-0002-1140-2641 https://ror.org/041nas322https://orcid.org/0000-0003-0309-9715 https://ror.org/04vnq7t77https://orcid.org/0000-0002-7233-6828 https://ror.org/04vnq7t77https://orcid.org/0000-0001-9763-9131
Point of Contact	Use email button above to contact. Mögerle, JohannesUniversity of Stuttgart
Description	This dataset includes files and data to reproduce the figures of "The PairInteraction Toolkit for Modeling Rydberg Physics in Alkali and Alkaline-Earth-Like Atoms". The jupyter notebooks reproduce the figures of the paper. The `requirements.txt` file contains the package versions used to run the notebooks. The `data_stark_map.mat` file contains the raw data of the experimentally measured stark map. Inside the `benchmarks` directory are the scripts used to benchmark the PairInteraction version v0.9 and v2. Inside the `benchmarks/cache` directory are the benchmark results obtained on an AMD Ryzen 7 5700G with 64GiB of RAM. (2026-05-18)
Subject	Physics
Keyword	Rydberg Atoms https://doi.org/10.29172/375e9370-f563-487e-9a65-a532b6cf20f6 (PhySH) Rydberg Interactions Multi-Channel Quantum Defect Theory Green's Tensor Open-Source Software http://www.wikidata.org/entity/Q1130645 (Wikidata)
Topic Classification	Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas (DFGFO) https://w3id.org/dfgfo/2024/323
Related Publication	Johannes Mögerle, Frederic Hummel, Alicia Keil, Tangi Legrand, Eduard J. Braun, Henri Menke, Jonathan King, Beatriz Olmos, Sebastian Hofferberth, Hans Peter Büchler and Sebastian Weber, The PairInteraction Toolkit for Modeling Rydberg Physics in Alkali and Alkaline-Earth-Like Atoms (2026). arXiv 2605.14993 https://arxiv.org/abs/2605.14993 Johannes Mögerle, Frederic Hummel, Alicia Keil, Tangi Legrand, Eduard J. Braun, Henri Menke, Jonathan King, Beatriz Olmos, Sebastian Hofferberth, Hans Peter Büchler and Sebastian Weber, The PairInteraction Toolkit for Modeling Rydberg Physics in Alkali and Alkaline-Earth-Like Atoms (2026). doi 10.1038/s41598-026-72921-0 https://doi.org/10.1038/s41598-026-72921-0
Notes	Use persistent identifiers from Software Heritage ( ) to cite individual files or even lines of the source code.
Producer	Institute for Theoretical Physics IIIUniversity of Stuttgart https://www.itp3.uni-stuttgart.de/ Center for Integrated Quantum Science and TechnologyUniversity of Stuttgart Atom Computing, Inc. Institut für Theoretische PhysikUniversität Tübingen Institute of Applied PhysicsUniversity of Bonn Physikalisches InstitutUniversität Heidelberg Max Planck Computing and Data Facility
Funding Information	BMFTR: MUNIQC-Atoms BMFTR: BeRyQC DFG: Priority Programme SPP 2514: 541030623 DFG: JST-DFG ASPIRE 2025 project "Quantum computing with neutral atoms": 554561799 European Commission: ERC grant SUPERWAVE: info:eu-repo/grantAgreement/EC/HE/101071882 DFG: SFB/TR185 OSCAR, project A8: 277625399 DFG: FOR 5413/1: 465199066 IQST Boosting Programme 2026 IMPRS for Quantum Dynamics in Physics, Chemistry and Biology
Depositor	Mögerle, Johannes
Deposit Date	2026-05-18

Software Metadata (CodeMeta v2.0)

Software Version	Python >= 3.10
Code Repository	https://github.com/pairinteraction/pairinteraction
Software Help/Documentation	https://www.pairinteraction.org

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Curation Status History

Status	Date	Assigner
	2026-10-02 07:15:16	Johannes Mögerle
Waiting for Feedback from Author	2026-10-01 14:57:17	Dataverse Admin
In Review by FoKUS	2026-09-30 07:24:50	Dataverse Admin

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