Reduced scaling implementation of the coupled cluster-based static embedding method, MPCC with density fitting

arXiv:2609.32884 · physics.chem-ph, quant-ph · Submitted 2026-09-26 · Read on arXiv

physics.chem-ph, quant-ph

Submitted: 2026-09-26

Updated: 2026-10-06

Terminology

• Accuracy — 21× in this paper · explained in 1 episode
• Benchmark — 5× in this paper · explained in 2 episodes
• Particle-Particle Ladder — 3× in this paper
• Alternation — 2× in this paper · explained in 1 episode
• Core — 2× in this paper · explained in 2 episodes
• Exclusion Principle Violating — 2× in this paper
• Algorithmic Improvements — 1× in this paper · explained in 1 episode
• Consistency — 1× in this paper · explained in 3 episodes
• DFT Calculations — 1× in this paper · explained in 2 episodes
• Degeneracy — 1× in this paper · explained in 3 episodes
• Frustration — 1× in this paper · explained in 2 episodes
• Peierls instability — 1× in this paper · explained in 2 episodes
• Self-consistency — 1× in this paper · explained in 2 episodes

Sources

• Tensor-Structured Coupled Cluster Theory
• Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order M{\o}ller-Plesset Perturbation Theory
• Rank-reduced coupled-cluster III. Tensor hypercontraction of the doubles amplitudes

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