Publications

If you use PairInteraction in your research, please cite our paper:

Johannes Mögerle, Frederic Hummel, Alicia Keil, Tangi Legrand, Eduard J. Braun, Henri Menke, Jonathan King, Beatriz Olmos, Sebastian Hofferberth, Hans Peter Büchler, Sebastian Weber, Accurate Modeling of Rydberg Atoms and Their Interactions: Theory and Implementation in PairInteraction, arXiv:2605.14993

@misc{Moegerle2026,
    author = {M{\"o}gerle, Johannes and Hummel, Frederic and Keil, Alicia and Legrand, Tangi and Braun, Eduard J. and Menke, Henri and King, Jonathan and Olmos, Beatriz and Hofferberth, Sebastian and B{\"u}chler, Hans Peter and Weber, Sebastian},
    title = {{Accurate Modeling of Rydberg Atoms and Their Interactions: Theory and Implementation in PairInteraction}},
    year = {2026},
    doi = {10.48550/arXiv.2605.14993},
    url = {https://arxiv.org/abs/2605.14993}
}

If you would like to read more about the underlying theory and methods, we also refer to the original tutorial paper:

Sebastian Weber, Christoph Tresp, Henri Menke, Alban Urvoy, Ofer Firstenberg, Hans Peter Büchler, Sebastian Hofferberth, Tutorial: Calculation of Rydberg interaction potentials, J. Phys. B: At. Mol. Opt. Phys. 50, 133001 (2017), arXiv:1612.08053

@article{Weber2017,
    author = {Weber, Sebastian and Tresp, Christoph and Menke, Henri and Urvoy, Alban and Firstenberg, Ofer and B{\"u}chler, Hans Peter and Hofferberth, Sebastian},
    title = {{Tutorial: Calculation of Rydberg interaction potentials}},
    journal = {J. Phys. B: At. Mol. Opt. Phys.},
    volume = {50},
    number = {13},
    pages = {133001},
    year = {2017},
    doi = {10.1088/1361-6455/aa743a},
    url = {https://doi.org/10.1088/1361-6455/aa743a}
}

PairInteraction relies on quantum defects provided by the community. We encourage users to cite the relevant publications for their atomic species alongside PairInteraction.

Element

Model

Identifier

References

H

SQDT

H

Schrödinger equation for hydrogen

Li

SQDT

Li

10.1017/CBO9780511524530 (1994)
10.1103/PhysRevA.34.2889 (1986)

Na

SQDT

Na

10.1088/0953-4075/30/10/009 (1997)
10.1070/QE1995v025n09ABEH000501 (1995)
10.1103/PhysRevA.45.4720 (1992)

K

SQDT

K

10.1088/0031-8949/27/4/012 (1983)
10.1016/0030-4018(81)90225-X (1981)

Rb

SQDT

Rb

10.1103/PhysRevA.83.052515 (2011)
10.1103/PhysRevA.74.054502 (2006)
10.1103/PhysRevA.74.062712 (2006)
10.1103/PhysRevA.67.052502 (2003)

Cs

SQDT

Cs

10.1103/PhysRevA.93.013424 (2016)
10.1103/PhysRevA.35.4650 (1987)
10.1103/PhysRevA.26.2733 (1982)

Sr88

SQDT

Sr88_sqdt

singlet sector: 10.1103/PhysRevA.108.022815 (2023)
singlet sector: 10.17169/refubium-34581 (2022)
triplet sector: 10.1016/j.cpc.2020.107814 (2021)

Sr87

MQDT

Sr87_mqdt

10.1088/1361-6455/ab4c22 (2019)

Sr88

MQDT

Sr88_mqdt

10.1088/1361-6455/ab4c22 (2019)

Sr88+

SQDT

Sr88_ion

urn:nbn:se:su:diva-184811 (2020)
10.1007/978-3-030-33770-4 (2019)
10.1007/BF01426593 (1991)

Yb171

MQDT

Yb171_mqdt

10.1103/PhysRevX.15.011009 (2025)
10.1103/mzsv-rckx (2025)

Yb173

MQDT

Yb173_mqdt

MQDT model formulated by us

Yb174

MQDT

Yb174_mqdt

10.1103/PhysRevX.15.011009 (2025)
10.1103/mzsv-rckx (2025)

The identifier can be used to specify an atomic species in the PairInteraction software.