NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods K Guther, RJ Anderson, NS Blunt, NA Bogdanov, D Cleland, N Dattani, ...
The Journal of chemical physics 153 (3), 2020
80 2020 Population control bias and importance sampling in full configuration interaction quantum Monte Carlo K Ghanem, N Liebermann, A Alavi
Physical Review B 103 (15), 155135, 2021
17 2021 Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach O Weser, N Liebermann, D Kats, A Alavi, G Li Manni
The Journal of Physical Chemistry A 126 (12), 2050-2060, 2022
10 2022 Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach G Li Manni, D Kats, N Liebermann
Journal of Chemical Theory and Computation 19 (4), 1218-1230, 2023
5 2023 Ferromagnetic domains in the large- Hubbard model with a few holes: A full configuration interaction quantum Monte Carlo study S Yun, W Dobrautz, H Luo, V Katukuri, N Liebermann, A Alavi
Physical Review B 107 (6), 064405, 2023
4 2023 Importance-sampling FCIQMC: Solving weak sign-problem systems N Liebermann, K Ghanem, A Alavi
The Journal of Chemical Physics 157 (12), 2022
2 2022 The FCIQMC sign problem in the real-space Hubbard model N Liebermann
2023 Resolution of Ground and Excited Electronic States within the Unitary Group Approach GL Manni, D Kats, N Liebermann
2022 Exceptional points in the elliptical three-disk scatterer using semiclassical periodic orbit quantization N Liebermann, J Main, G Wunner
Europhysics Letters 118 (3), 30006, 2017
2017