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Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo
Shee, James, Zhang, Shiwei, Reichman, David R., Friesner, Richard ALanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00224
Date:
May, 2017
File:
PDF, 5.85 MB
english, 2017