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List of works by Werner Dobrautz

Benchmark study of Nagaoka ferromagnetism by spin-adapted full configuration interaction quantum Monte Carlo

scientific article published in 2021

Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach

scientific article published on 01 September 2019

NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods

scientific article published on 01 July 2020

Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron–Sulfur Clusters

scientific article published on 01 September 2021

The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry

scientific article published in 2023

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