Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set
Author:
Affiliation:
1. Computational Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA
2. Material Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA
Funder
Basic Energy Sciences
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/5.0026275
Reference77 articles.
1. Benchmarking quantum chemistry methods for spin-state energetics of iron complexes against quantitative experimental data
2. Benchmarking Quantum Chemical Methods for the Calculation of Molecular Dipole Moments and Polarizabilities
3. Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?
4. “Mindless” DFT Benchmarking
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