99 citations · 303 across the 7 of their papers we have counts for
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Four-component Full Configuration Interaction Quantum Monte Carlo for Relativistic Correlated Electron Problems
Robert J. Anderson, George H. Booth
An adaptation of the full configuration interaction quantum Monte Carlo (FCIQMC) method is presented, for correlated electron problems containing heavy elements and the presence of…
Improved Stochastic Multireference Perturbation Theory for Correlated Systems with Large Active Spaces
James J. Halson, Robert J. Anderson, George H. Booth
We identify the dominant computational cost within the recently introduced stochastic and internally contracted FCIQMC-NEVPT2 method for large active space sizes. This arises from…
NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J. Anderson, Nick S. Blunt +22
We present NECI, a state-of-the-art implementation of the Full Configuration Interaction Quantum Monte Carlo algorithm, a method based on a stochastic application of the Hamiltonia…