Replication Data for: Coupled-Cluster Treatment of Complex Open-Shell Systems: The Case of Single-Molecule Magnets

This dataset includes comprehensive resources for a project analyzing electronic states and magnetic properties of molecular magnets using coupled-cluster methods. It contains input and output data files, summary reports, visualizations, and custom scripts, offering a complete suite for reproducing and exploring the project findings.

Jaar van publicatie:2024

Toegankelijkheid:open

Uitgever:KU Leuven RDR

Licentie:CC-BY-4.0

Formaat:txt, ods, pdf, jpg, py

Trefwoorden: coupled-cluster theory, electronic structure theory, molecular magnetism