Benchmarking the GW Approximation against Coupled-Cluster Theory for 3 d Transition Metals

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Benchmarking shows the GW approximation accurately estimates ionization potentials in transition metals, suggesting its viability over CC methods.

The mean absolute errors for benchmarking ionization potentials are below 0.6 eV, underscoring accuracy.
Performance analysis contrasts the GW approximation with coupled-cluster methods, demonstrating efficiency for 3d transition metals.
The study assesses accuracy using EOM-CCSD and GW methods, revealing competitive results at lower computational costs.
Reliable estimates in open-shell transition-metal systems position the GW approximation as a preferred method.

Galleni et al. (2025) studied this question.

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Benchmarking shows the GW approximation accurately estimates ionization potentials in transition metals, suggesting its viability over CC methods.