Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo
Author:
Affiliation:
1. Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States
2. Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795, United States
Funder
Division of Chemistry
Office of Science
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00224
Reference121 articles.
1. Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges
2. Ab initio quantum chemistry: Methodology and applications
3. Frontiers in electronic structure theory
4. On the accuracy of density functional theory in transition metal chemistry
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