orbital-spectrum is a lightweight, efficient toolkit for analyzing the orbital (angular harmonic) decomposition of discrete (numerical) and continuous (analytic) functions.
The initial focus is on 2D fields, with a 3D extension on the way. The library performs an angular spectral decomposition, separating a field into angular harmonics and their associated radial components. This lets you:
- Inspect the angular character and radial extent of a function visually.
- Perform robust symmetry analysis in condensed matter and materials science contexts.
- Use the radial components directly in calculations (e.g. electrostatics) to reduce the number of variables.
Built-in tooling allows you to prune angular-momentum channels using a physically meaningful fractional power criterion on the radial components. This helps you minimize computational load while retaining the dominant physics in interaction or energy calculations.
Developed by Alex Santacruz (PhD student, 2DQMAT Research @ IF-UNAM).