181 citations · 280 across the 2 of their papers we have counts for
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-ph2017★ 181 cited
Pushing Configuration-Interaction to the Limit: Towards Massively Parallel MCSCF Calculations
Konstantinos D. Vogiatzis, Dongxia Ma, Jeppe Olsen +2
A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized ac…