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

99 citations · 99 across the 1 of their papers we have counts for

collaborators
Showing physics.comp-phShow all

2 papers · 1 filter

physics.comp-ph2020

The Adaptive Shift Method in Full Configuration Interaction Quantum Monte Carlo: Development and Applications

Khaldoon Ghanem, Kai Guther, Ali Alavi

In a recent paper, we proposed the adaptive shift method for correcting the undersampling bias of the initiator-FCIQMC. The method allows faster convergence with the number of walk…

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…