ryd-numerov 0.6.0

A Python package for calculating Rydberg wavefunctions.

Rydberg Numerov

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):

pip install ryd-numerov

To install the latest development version from github, use:

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.

Click to expand for quantum defect references

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, singlet sector	Sr88_singlet	10.1103/PhysRevA.108.022815 (2023) 10.17169/refubium-34581 (2022)
Sr88	SQDT, triplet sector	Sr88_triplet	10.1016/j.cpc.2020.107814 (2021)

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.

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. For more information, see LICENSE.txt.