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

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…

cond-mat.str-el2018

New superexchange paths due to breathing-enhanced hopping in corner-sharing cuprates

Nikolay A. Bogdanov, Giovanni Li Manni, Sandeep Sharma +2

We present ab initio calculations of the superexchange antiferromagnetic spin coupling for two cuprates, SrCuO and LaCuO. Good agreement with experimental estim…