MC-PDFT-OPESf

MC-PDFT-OPESf is a research-grade multireference benchmark focused on multireference quantum-chemistry data for difficult electronic structures, excited states, and method-development benchmarks. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: MC-PDFT-OPESf. Materials dataset resource. https://github.com/search?q=MC-PDFT-OPESf&type=repositories

Acknowledgement: Curated by MaterialsAtlas Open Resources from public data portals, official project pages, benchmark suites, repositories, and publication-linked archives.