LinLCCD and xlinCCD(2) Quantum Chemistry Method Benchmarks

Tabular data compares linearized coupled cluster methods for quantum chemistry calculations. The 26.9 KB XLSX file contains results for the linLCCD and xlinCCD(2) methods, created by Sylvia J. Bintrim and last updated in May 2026. The dataset likely contains numerical benchmarks evaluating method performance on correlation problems.

Use Cases

• Benchmarking linearized coupled cluster methods based on the described linLCCD and xlinCCD(2) techniques.
• Comparing method performance on strong correlation problems based on the dataset's focus on coupled cluster approaches.
• Evaluating the trade-off between computational cost and accuracy in quantum chemistry based on the description of linearized methods.
• Testing perturbation theory corrections for dynamical correlation based on the described second-order ring/crossed-ring correction.

Strengths

• File size is 26.9 KB, indicating a focused and easily shareable dataset.
• License is CC-BY-NC-4.0, providing clear non-commercial reuse terms.
• Platform tags include specific method names like 'Linearized Ccd' and 'Perturbation Theory', aiding discovery.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The description is technical but lacks specifics on the data's structure or sample values.

Provenance

Source

figshare

Freshness

Last updated 2026-05-15 15:05:08