Calculation of Metallocene Ionization Potentials {via|by way of|through|by means of} Auxiliary Field Quantum Monte Carlo: Towards Benchmark Quantum Chemistry for Transition Metals
The {accurate|correct|precise} ab initio prediction of ionization energies {is essential|is crucial} to understanding the electrochemistry of transition metal complexes in {both|each} {materials|supplies|components} science and biological applications. {However|Nevertheless|Nonetheless|Even so|On the other…