Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overview and Assessment on Main Group Chemistry and Bond-Breaking
Author:
Affiliation:
1. Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00802
Reference171 articles.
1. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2. Challenges for Density Functional Theory
3. Coupled-cluster theory in quantum chemistry
4. Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo Simulations with Interpolative Separable Density Fitting
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