# Rydberg Numerov
[![PyPI Package][pypi-svg]][pypi-link]
[![License: LGPL v3][license-lgpl-svg]][license-lgpl-link]
[![CI Workflow][gh-workflow-svg]][gh-workflow-link]
[![Documentation][docs-svg]][docs-link]
[pypi-svg]: https://img.shields.io/pypi/v/ryd-numerov.svg?style=flat
[pypi-link]: https://pypi.org/project/ryd-numerov/
[license-lgpl-svg]: https://img.shields.io/badge/License-LGPL_v3-blue.svg?style=flat
[license-lgpl-link]: https://www.gnu.org/licenses/lgpl-3.0.html
[gh-workflow-svg]: https://github.com/pairinteraction/ryd-numerov/actions/workflows/python_wheel.yml/badge.svg
[gh-workflow-link]: https://github.com/pairinteraction/ryd-numerov/actions/workflows/python_wheel.yml
[docs-svg]: https://img.shields.io/badge/Documentation-rydnumerov-blue.svg?style=flat
[docs-link]: https://www.pairinteraction.org/ryd-numerov/sphinx/html/
The *Rydberg Numerov* software calculates properties of Rydberg states.
We especially focus on the calculation of the radial wavefunction of Rydberg states via the Numerov method.
The software can be installed via pip (requires Python >= 3.9):
```bash
pip install ryd-numerov
```
To install the latest development version from github, use:
```bash
pip install git+https://github.com/pairinteraction/ryd-numerov
```
## How to Cite
This package relies on quantum defects provided by the community. Consider citing relevant publications for your atomic species.
<p><details>
<summary><b>Click to expand for quantum defect references</b></summary>
| Element | Model | Identifier | References |
|---------|-----------------------|----------------|--------------------------------------------------------------------------------------------------------------------------------------------------------------|
| H | SQDT | `H` | Schrödinger equation for hydrogen |
| Li | SQDT | `Li` | [10.1017/CBO9780511524530] (1994)<br>[10.1103/PhysRevA.34.2889] (1986) |
| Na | SQDT | `Na` | [10.1088/0953-4075/30/10/009] (1997)<br>[10.1070/QE1995v025n09ABEH000501] (1995)<br>[10.1103/PhysRevA.45.4720] (1992) |
| K | SQDT | `K` | [10.1088/0031-8949/27/4/012] (1983)<br>[10.1016/0030-4018(81)90225-X] (1981) |
| Rb | SQDT | `Rb` | [10.1103/PhysRevA.83.052515] (2011)<br>[10.1103/PhysRevA.74.054502] (2006)<br>[10.1103/PhysRevA.74.062712] (2006)<br>[10.1103/PhysRevA.67.052502] (2003) |
| Cs | SQDT | `Cs` | [10.1103/PhysRevA.93.013424] (2016)<br>[10.1103/PhysRevA.35.4650] (1987)<br>[10.1103/PhysRevA.26.2733] (1982) |
| Sr88 | SQDT, singlet sector | `Sr88_singlet` | [10.1103/PhysRevA.108.022815] (2023)<br>[10.17169/refubium-34581] (2022) |
| Sr88 | SQDT, triplet sector | `Sr88_triplet` | [10.1016/j.cpc.2020.107814] (2021) |
</details></p>
[10.1103/PhysRevA.34.2889]: https://doi.org/10.1103/PhysRevA.34.2889
[10.1017/CBO9780511524530]: https://doi.org/10.1017/CBO9780511524530
[10.1103/PhysRevA.45.4720]: https://doi.org/10.1103/PhysRevA.45.4720
[10.1070/QE1995v025n09ABEH000501]: https://doi.org/10.1070/QE1995v025n09ABEH000501
[10.1088/0953-4075/30/10/009]: https://doi.org/10.1088/0953-4075/30/10/009
[10.1088/0031-8949/27/4/012]: https://doi.org/10.1088/0031-8949/27/4/012
[10.1016/0030-4018(81)90225-X]: https://doi.org/10.1016/0030-4018(81)90225-X
[10.1103/PhysRevA.83.052515]: https://doi.org/10.1103/PhysRevA.83.052515
[10.1103/PhysRevA.67.052502]: https://doi.org/10.1103/PhysRevA.67.052502
[10.1103/PhysRevA.74.054502]: https://doi.org/10.1103/PhysRevA.74.054502
[10.1103/PhysRevA.74.062712]: https://doi.org/10.1103/PhysRevA.74.062712
[10.1103/PhysRevA.93.013424]: https://doi.org/10.1103/PhysRevA.93.013424
[10.1103/PhysRevA.26.2733]: https://doi.org/10.1103/PhysRevA.26.2733
[10.1103/PhysRevA.35.4650]: https://doi.org/10.1103/PhysRevA.35.4650
[10.1103/PhysRevA.108.022815]: https://doi.org/10.1103/PhysRevA.108.022815
[10.17169/refubium-34581]: https://doi.org/10.17169/refubium-34581
[10.1016/j.cpc.2020.107814]: https://doi.org/10.1016/j.cpc.2020.107814
## Documentation
**User Guide**
- [Tutorials] - Examples of how to use the Rydberg Numerov library.
- [API Reference] - Documentation of classes and functions of the Rydberg Numerov Python library.
[Tutorials]: https://www.pairinteraction.org/ryd-numerov/sphinx/html/examples.html
[API Reference]: https://www.pairinteraction.org/ryd-numerov/sphinx/html/modules.html
## Using custom quantum defects
To use custom quantum defects (or quantum defects for a new element), you can simply create a subclass of `ryd_numerov.elements.base_element.BaseElement` (e.g. `class CustomRubidium(BaseElement):`) with a custom species name (e.g. `species = "Custom_Rb"`).
Then, similarly to `ryd_numerov.elements.rubidium.py` you can define the quantum defects (and model potential parameters, ...) for your element.
Finally, you can use the custom element by simply calling `ryd_numerov.RydbergState("Custom_Rb", n=50, l=0, j=1/2, m=1/2)` (the code will look for all subclasses of `BaseElement` until it finds one with the species name "Custom_Rb").
## License
The ryd-numerov software is licensed under [LGPL v3][license-lgpl-link]. For more information, see [LICENSE.txt](https://github.com/pairinteraction/ryd-numerov/blob/master/LICENSE.txt).
Raw data
{
"_id": null,
"home_page": null,
"name": "ryd-numerov",
"maintainer": null,
"docs_url": null,
"requires_python": ">=3.9",
"maintainer_email": "Johannes M\u00f6gerle <johannes.moegerle@itp3.uni-stuttgart.de>",
"keywords": "rydberg, wavefunctions, numerov, quantum physics",
"author": "Rydberg Numerov Developers",
"author_email": null,
"download_url": "https://files.pythonhosted.org/packages/f5/1e/fa65de9188317573f25e6765aafcbddf6acfd1d0c2db5aaed35f871fcfae/ryd_numerov-0.7.0.tar.gz",
"platform": null,
"description": "# Rydberg Numerov\n\n[![PyPI Package][pypi-svg]][pypi-link]\n[![License: LGPL v3][license-lgpl-svg]][license-lgpl-link]\n[![CI Workflow][gh-workflow-svg]][gh-workflow-link]\n[![Documentation][docs-svg]][docs-link]\n\n[pypi-svg]: https://img.shields.io/pypi/v/ryd-numerov.svg?style=flat\n[pypi-link]: https://pypi.org/project/ryd-numerov/\n[license-lgpl-svg]: https://img.shields.io/badge/License-LGPL_v3-blue.svg?style=flat\n[license-lgpl-link]: https://www.gnu.org/licenses/lgpl-3.0.html\n[gh-workflow-svg]: https://github.com/pairinteraction/ryd-numerov/actions/workflows/python_wheel.yml/badge.svg\n[gh-workflow-link]: https://github.com/pairinteraction/ryd-numerov/actions/workflows/python_wheel.yml\n[docs-svg]: https://img.shields.io/badge/Documentation-rydnumerov-blue.svg?style=flat\n[docs-link]: https://www.pairinteraction.org/ryd-numerov/sphinx/html/\n\nThe *Rydberg Numerov* software calculates properties of Rydberg states.\nWe especially focus on the calculation of the radial wavefunction of Rydberg states via the Numerov method.\nThe software can be installed via pip (requires Python >= 3.9):\n\n```bash\npip install ryd-numerov\n```\n\nTo install the latest development version from github, use:\n\n```bash\npip install git+https://github.com/pairinteraction/ryd-numerov\n```\n\n\n## How to Cite\n\nThis package relies on quantum defects provided by the community. Consider citing relevant publications for your atomic species.\n\n<p><details>\n<summary><b>Click to expand for quantum defect references</b></summary>\n\n| Element | Model | Identifier | References |\n|---------|-----------------------|----------------|--------------------------------------------------------------------------------------------------------------------------------------------------------------|\n| H | SQDT | `H` | Schr\u00f6dinger equation for hydrogen |\n| Li | SQDT | `Li` | [10.1017/CBO9780511524530] (1994)<br>[10.1103/PhysRevA.34.2889] (1986) |\n| Na | SQDT | `Na` | [10.1088/0953-4075/30/10/009] (1997)<br>[10.1070/QE1995v025n09ABEH000501] (1995)<br>[10.1103/PhysRevA.45.4720] (1992) |\n| K | SQDT | `K` | [10.1088/0031-8949/27/4/012] (1983)<br>[10.1016/0030-4018(81)90225-X] (1981) |\n| Rb | SQDT | `Rb` | [10.1103/PhysRevA.83.052515] (2011)<br>[10.1103/PhysRevA.74.054502] (2006)<br>[10.1103/PhysRevA.74.062712] (2006)<br>[10.1103/PhysRevA.67.052502] (2003) |\n| Cs | SQDT | `Cs` | [10.1103/PhysRevA.93.013424] (2016)<br>[10.1103/PhysRevA.35.4650] (1987)<br>[10.1103/PhysRevA.26.2733] (1982) |\n| Sr88 | SQDT, singlet sector | `Sr88_singlet` | [10.1103/PhysRevA.108.022815] (2023)<br>[10.17169/refubium-34581] (2022) |\n| Sr88 | SQDT, triplet sector | `Sr88_triplet` | [10.1016/j.cpc.2020.107814] (2021) |\n</details></p>\n\n[10.1103/PhysRevA.34.2889]: https://doi.org/10.1103/PhysRevA.34.2889\n[10.1017/CBO9780511524530]: https://doi.org/10.1017/CBO9780511524530\n[10.1103/PhysRevA.45.4720]: https://doi.org/10.1103/PhysRevA.45.4720\n[10.1070/QE1995v025n09ABEH000501]: https://doi.org/10.1070/QE1995v025n09ABEH000501\n[10.1088/0953-4075/30/10/009]: https://doi.org/10.1088/0953-4075/30/10/009\n[10.1088/0031-8949/27/4/012]: https://doi.org/10.1088/0031-8949/27/4/012\n[10.1016/0030-4018(81)90225-X]: https://doi.org/10.1016/0030-4018(81)90225-X\n[10.1103/PhysRevA.83.052515]: https://doi.org/10.1103/PhysRevA.83.052515\n[10.1103/PhysRevA.67.052502]: https://doi.org/10.1103/PhysRevA.67.052502\n[10.1103/PhysRevA.74.054502]: https://doi.org/10.1103/PhysRevA.74.054502\n[10.1103/PhysRevA.74.062712]: https://doi.org/10.1103/PhysRevA.74.062712\n[10.1103/PhysRevA.93.013424]: https://doi.org/10.1103/PhysRevA.93.013424\n[10.1103/PhysRevA.26.2733]: https://doi.org/10.1103/PhysRevA.26.2733\n[10.1103/PhysRevA.35.4650]: https://doi.org/10.1103/PhysRevA.35.4650\n[10.1103/PhysRevA.108.022815]: https://doi.org/10.1103/PhysRevA.108.022815\n[10.17169/refubium-34581]: https://doi.org/10.17169/refubium-34581\n[10.1016/j.cpc.2020.107814]: https://doi.org/10.1016/j.cpc.2020.107814\n\n\n## Documentation\n\n**User Guide**\n\n- [Tutorials] - Examples of how to use the Rydberg Numerov library.\n\n- [API Reference] - Documentation of classes and functions of the Rydberg Numerov Python library.\n\n\n[Tutorials]: https://www.pairinteraction.org/ryd-numerov/sphinx/html/examples.html\n[API Reference]: https://www.pairinteraction.org/ryd-numerov/sphinx/html/modules.html\n\n\n## Using custom quantum defects\nTo use custom quantum defects (or quantum defects for a new element), you can simply create a subclass of `ryd_numerov.elements.base_element.BaseElement` (e.g. `class CustomRubidium(BaseElement):`) with a custom species name (e.g. `species = \"Custom_Rb\"`).\nThen, similarly to `ryd_numerov.elements.rubidium.py` you can define the quantum defects (and model potential parameters, ...) for your element.\nFinally, you can use the custom element by simply calling `ryd_numerov.RydbergState(\"Custom_Rb\", n=50, l=0, j=1/2, m=1/2)` (the code will look for all subclasses of `BaseElement` until it finds one with the species name \"Custom_Rb\").\n\n\n## License\n\nThe ryd-numerov software is licensed under [LGPL v3][license-lgpl-link]. For more information, see [LICENSE.txt](https://github.com/pairinteraction/ryd-numerov/blob/master/LICENSE.txt).\n",
"bugtrack_url": null,
"license": null,
"summary": "A Python package for calculating Rydberg wavefunctions.",
"version": "0.7.0",
"project_urls": {
"Repository": "https://github.com/pairinteraction/ryd-numerov"
},
"split_keywords": [
"rydberg",
" wavefunctions",
" numerov",
" quantum physics"
],
"urls": [
{
"comment_text": null,
"digests": {
"blake2b_256": "a2a6978b4ea7cbfb796d7be1424a8d9b793d57c428b49e38ffc97e89024771de",
"md5": "86f9d9950766bb71b4f8f05c139e4450",
"sha256": "9ab65b018b266ee79291ab01881b203ad20b0e78d5be9aef976ae88ca24ba03c"
},
"downloads": -1,
"filename": "ryd_numerov-0.7.0-py3-none-any.whl",
"has_sig": false,
"md5_digest": "86f9d9950766bb71b4f8f05c139e4450",
"packagetype": "bdist_wheel",
"python_version": "py3",
"requires_python": ">=3.9",
"size": 74436,
"upload_time": "2025-07-22T08:36:14",
"upload_time_iso_8601": "2025-07-22T08:36:14.706761Z",
"url": "https://files.pythonhosted.org/packages/a2/a6/978b4ea7cbfb796d7be1424a8d9b793d57c428b49e38ffc97e89024771de/ryd_numerov-0.7.0-py3-none-any.whl",
"yanked": false,
"yanked_reason": null
},
{
"comment_text": null,
"digests": {
"blake2b_256": "f51efa65de9188317573f25e6765aafcbddf6acfd1d0c2db5aaed35f871fcfae",
"md5": "41de9886a134d0abbd83db640bcc2d0c",
"sha256": "281f6f53c873611194b0faa57332ce85aa84a83140a3b97275a2d43ecefadd4c"
},
"downloads": -1,
"filename": "ryd_numerov-0.7.0.tar.gz",
"has_sig": false,
"md5_digest": "41de9886a134d0abbd83db640bcc2d0c",
"packagetype": "sdist",
"python_version": "source",
"requires_python": ">=3.9",
"size": 69739,
"upload_time": "2025-07-22T08:36:16",
"upload_time_iso_8601": "2025-07-22T08:36:16.001909Z",
"url": "https://files.pythonhosted.org/packages/f5/1e/fa65de9188317573f25e6765aafcbddf6acfd1d0c2db5aaed35f871fcfae/ryd_numerov-0.7.0.tar.gz",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2025-07-22 08:36:16",
"github": true,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"github_user": "pairinteraction",
"github_project": "ryd-numerov",
"travis_ci": false,
"coveralls": false,
"github_actions": true,
"lcname": "ryd-numerov"
}
JSON
