multipole-expansion

Here are 2 public repositories matching this topic...

rsfem / rsfem

rsFEM is a software suite for aspherical atomic calculations based on a hybrid Finite Element (radial) / Multipole Expansion (spherical) discretization.

density-functional-theory schrodinger-equation finite-element-method all-electron pseudopotential multipole-expansion kohn-sham-dft atomic-calculation aspherical-solution

Updated Jan 4, 2023
MATLAB

QuantumDynamicsLab / PES2MP_ipynb

Star

PES2MP: Get radial coefficients from PES via multipole expansion

collision computational-chemistry curve-fitting spherical-harmonics scattering astrochemistry supervised-machine-learning theoretical-chemistry chemical-physics multipole legendre-polynomials multipole-expansion potential-energy-surface molscat

Updated Sep 13, 2023
Jupyter Notebook

Improve this page

Add a description, image, and links to the multipole-expansion topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the multipole-expansion topic, visit your repo's landing page and select "manage topics."

Learn more

Provide feedback

Saved searches

Use saved searches to filter your results more quickly