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20202025
most citedPredicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo

49 citations · 70 across the 6 of their papers we have counts for

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physics.chem-ph2024★ 10 cited

Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry

Yujing Wei, Sibali Debnath, John L. Weber +3

This study evaluates the precision of widely recognized quantum chemical methodologies, CCSD(T), DLPNO-CCSD(T) and localized ph-AFQMC, for determining the thermochemistry of main g…