Potential Energy Curves for the 51 Lowest Electronic States of N2

51 potential energy curves for the nitrogen molecule detail its singlet, triplet, quintet, and septet electronic states. The dataset was authored by Chaima Hammami and published under a CC-BY-4.0 license on figshare. Its last update was recorded on 2026-05-26.

Use Cases

• Training quantum chemistry models based on the detailed potential energy curves.
• Benchmarking electronic structure calculation methods against the 51 reference states.
• Analyzing molecular bonding and dissociation behavior across singlet, triplet, quintet, and septet multiplicities.

Strengths

• Covers 51 distinct electronic states, providing a broad scope for the N2 molecule.
• Explicitly includes data for singlet, triplet, quintet, and septet multiplicities.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is very small at 28.2 KB, indicating limited scope.

Provenance

Source

Chaima Hammami via figshare

Freshness

Last updated 2026-05-26 04:07:20; freshness should be verified.