#

natural-orbitals

Here is 1 public repository matching this topic...

DoNOF / DoNOFsw

Donostia Natural Orbital Functional Software

computational-chemistry quantum-chemistry electronic-structure molecular-modeling reduced-density-matrices natural-orbitals natural-orbital-functional

Updated May 18, 2026
BASIC

Improve this page

Add a description, image, and links to the natural-orbitals 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 natural-orbitals topic, visit your repo's landing page and select "manage topics."