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Niklas Liebermann
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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
762020
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
162021
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
102022
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
52023
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
42023
Importance-sampling FCIQMC: Solving weak sign-problem systems
N Liebermann, K Ghanem, A Alavi
The Journal of Chemical Physics 157 (12), 2022
22022
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
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Articles 1–9