xlinCCD(2): Linearized Coupled Cluster Perturbation Theory Results

A 36.8 KB Excel file contains results for a new quantum chemistry method called xlinCCD(2). Sylvia J. Bintrim published this dataset on figshare in May 2026. The data likely compares the performance of linearized ladder CCD and its second-order ring/crossed-ring correction against standard methods.

Use Cases

• Benchmarking the xlinCCD(2) method's accuracy based on its description as yielding comparable results to linearized CCD in weakly correlated regimes.
• Analyzing the trade-off between computational cost and accuracy for addition-by-subtraction coupled cluster approaches.
• Studying the regularization of singularities in linearized CC methods for bond-breaking scenarios.
• Comparing the treatment of dynamical correlation between linLCCD and its perturbative correction.

Strengths

• The dataset is published under a CC-BY-NC-4.0 license, allowing non-commercial reuse.
• The description provides a clear scientific context for the linearized, addition-by-subtraction CC method.
• The file size is 36.8 KB, indicating a focused and manageable dataset.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset's scope is limited to 36.8 KB, suggesting a small-scale study or benchmark.

Provenance

Source

figshare

Freshness

Last updated 2026-05-15 15:05:07; freshness should be verified.