xlinCCD(2): Linearized Coupled Cluster Perturbation Theory Results

103.9 KB of tabular data in an XLSX file, presenting results for a new linearized external coupled cluster perturbation theory method. The dataset, authored by Sylvia J. Bintrim and last updated on 2026-05-15, compares the xlinCCD(2) method's performance against linearized ladder CCD and linearized CCD for treating strong correlation in quantum chemistry.

Use Cases

• Benchmarking the xlinCCD(2) method's accuracy in weakly correlated regimes based on the description of comparable results to linearized CCD.
• Studying the regularization of singularities in linearized methods based on the removal and controlled reintroduction of ring/crossed-ring terms.
• Evaluating trade-offs between computational cost and dynamical correlation capture in linearized, addition-by-subtraction coupled cluster approaches.

Strengths

• Dataset is 103.9 KB, indicating a focused and quickly downloadable set of results.
• The method and its theoretical basis are described in detail in the accompanying description.
• Includes a specific timestamp for the last update: 2026-05-15 15:05:08.

Limitations

• Row count is unknown, which may limit suitability assessment for statistical analysis.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset's small size suggests it contains summary or illustrative results rather than extensive computational raw data.

Provenance

Source

figshare

Collection Method

Likely contains numerical results from computational quantum chemistry simulations.

Freshness

Last updated 2026-05-15 15:05:08; freshness should be verified.