Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Towards Benchmark Quantum Chemistry for Transition Metals
, Authors:
Benjamin Rudshteyn, John L. Weber, Dilek Coskun, Pierre A. Devlaminck, Shiwei Zhang, David R. Reichman, James Shee, Richard A. Friesner
Version 3 posted 31 January 2022
1,114
Downloads