PyTorch implementation of multiplet X-ray spectroscopy simulations (XAS, XES, RIXS) — differentiable with respect to Slater, SOC, crystal-field, and charge-transfer parameters
-
Updated
May 4, 2026 - Jupyter Notebook
#
crystal-field
Here are 2 public repositories matching this topic...
Program for calculating crystal field theory
-
Updated
Jul 1, 2025 - Jupyter Notebook
Add this topic to your repo
To associate your repository with the crystal-field topic, visit your repo's landing page and select "manage topics."