ArticleJournal of chemical theory and computation2026
The Dose Makes the Poison: Perturbative Steps toward the Ultimate Linearized Coupled Cluster Method.
Article in Journal of chemical theory and computation, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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Who cites it
1 citing paper in PubMed.
- The Dose Makes the Poison: Perturbative Steps toward the Ultimate Linearized Coupled Cluster Method.Journal of chemical theory and computation · 2026Article
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Authors and funding
3 authors.
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Abstract
"Addition-by-subtraction" coupled cluster (CC) approaches provide a promising approach to treating the difficult strong correlation problem by simplifying the standard CC equations. In a separate vein, linearized CC methods have drawn interest for their lower computational cost, increased parallelizability, and favorable properties for extension to the excited state-but the inclusion of ring/crossed-ring terms causes singularities even for single bond breaking. A linearized, addition-by-subtraction CC method called linearized ladder CCD (linLCCD) removes these terms to avoid divergences, but linLCCD underestimates dynamical correlation. Herein we resolve this deficiency of linLCCD by introducing a linearized external coupled cluster perturbation theory that adds a second-order ring/crossed-ring correction back into a linLCCD reference wave function. Our resultant xlinCCD(2) method is regular and yields comparable results to linearized CCD in weakly correlated regimes.
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Registered trials
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