#

multireference

Here is 1 public repository matching this topic...

dumitrunovic-svg / inZOR-ActiveSpace

inZOR-ND: Automatic active-space selection for CASSCF — 8 benchmarks across 15 molecular systems

molecular-simulation quantum-chemistry artificial-life evolutionary-computation casscf active-space multireference

Updated May 14, 2026

Improve this page

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