Publications by authors named "Nils Herrmann"

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A correctly scaling rigorously spin-adapted and spin-complete open-shell CCSD implementation for arbitrary high-spin states.
Nils Herrmann, Michael Hanrath

J Chem Phys· February 2022

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Generation of spin-adapted and spin-complete substitution operators for (high spin) open-shell coupled cluster of arbitrary order.
Nils Herrmann, Michael Hanrath

J Chem Phys· October 2020

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Quantum chemical study of the autoxidation of ascorbate.
Nils Herrmann, Norah Heinz, Michael Dolg, Xiaoyan Cao

J Comput Chem· July 2016

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