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

99 citations · 99 across the 2 of their papers we have counts for

collaborators

2 papers

physics.comp-ph2020★ 99 cited

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…

physics.chem-ph2012

Emergence of Critical Phenomena in Full Configuration Interaction Quantum Monte Carlo

James J. Shepherd, Lauretta R. Schwarz, Robert E. Thomas +3

There has been recent literature discussion on the origin and severity of the `sign problem' in full configuration interaction quantum Monte Carlo (FCIQMC) and its `initiator' adap…