114 citations · 396 across the 10 of their papers we have counts for
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physics.chem-ph2020★ 5 cited
Energetics of (H2O)20 Isomers by means of F12 Canonical and Localized Coupled Cluster Methods
Nitai Sylvetsky, Jan M. L. Martin
We consider the performance of combined PNO-F12 approaches for the dissociation energy of water clusters as large as (H2O)20 by comparison to canonical CCSD(T)/CBS reference values…
physics.chem-ph2020★ 54 cited
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded Porphyrins
Nitai Sylvetsky, Ambar Banerjee, Mercedes Alonso +1
Localized orbital coupled cluster theory has recently emerged as an nonempirical alternative to DFT for large systems. Intuitively, one might expect such methods to perform less we…