Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Toward Benchmark-quality Ab Initio Predictions for 3d Transition Metal Electrocatalysts - A Comparison of CCSD(T) and ph-AFQMC
, Authors:
Hagen Neugebauer, Hung T. Vuong, John L. Weber, Richard A. Friesner, James Shee, Andreas Hansen
Version 2 posted 17 August 2023
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