Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes

Fuente: arXiv
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Bibliographic Details
Main Authors: Vuong, Hung T., Mahajan, Ankit, Weber, John L., Shee, James, Reichman, David R., Friesner, Richard A.
Format: Preprint
Published: 2025
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