activity
20192022
most citedNECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods

99 citations · 303 across the 7 of their papers we have counts for

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Showing 2019Show all

2 papers · 1 filter

physics.chem-ph2019★ 42 cited

Efficient and Stochastic Multireference Perturbation Theory for Large Active Spaces within a Full Configuration Interaction Quantum Monte Carlo Framework

Robert J. Anderson, Toru Shiozaki, George H. Booth

Full Configuration Interaction Quantum Monte Carlo (FCIQMC) has been effectively applied to very large configuration interaction (CI) problems, and was recently adapted for use as…

cond-mat.mtrl-sci2019★ 88 cited

Direct comparison of many-body methods for realistic electronic Hamiltonians

Kiel T. Williams, Yuan Yao, Jia Li +22

A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good…