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  • On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules
Title: On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules
Award ID(s):
1464802
PAR ID:
10092101
Author(s) / Creator(s):
; ; ; ; ;
Date Published:
Journal Name:
Journal of Chemical Theory and Computation
Volume:
15
Issue:
4
ISSN:
1549-9618
Page Range / eLocation ID:
2346 to 2358
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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