Universität zu Köln

Journal Article

Herrmann, Nils ORCID: 0000-0002-6468-9180 and Hanrath, Michael . Analysis of different sets of spin-adapted substitution operators in open-shell coupled cluster theory. Mol. Phys.. ABINGDON: TAYLOR & FRANCIS LTD. ISSN 1362-3028

Herrmann, Nils ORCID: 0000-0002-6468-9180 and Hanrath, Michael (2019). Automatic routing of Goldstone diagrams using genetic algorithms. Theor. Chem. Acc., 138 (10). NEW YORK: SPRINGER. ISSN 1432-2234

Herrmann, Nils and Hanrath, Michael (2020). Generation of spin-adapted and spin-complete substitution operators for (high spin) open-shell coupled cluster of arbitrary order. J. Chem. Phys., 153 (16). MELVILLE: AMER INST PHYSICS. ISSN 1089-7690

Herrmann, Nils ORCID: 0000-0002-6468-9180 and Hanrath, Michael (2022). A correctly scaling rigorously spin-adapted and spin-complete open-shell CCSD implementation for arbitrary high-spin states. J. Chem. Phys., 156 (5). MELVILLE: AIP Publishing. ISSN 1089-7690

Herrmann, Nils ORCID: 0000-0002-6468-9180, Heinz, Norah, Dolg, Michael ORCID: 0000-0002-0538-0837 and Cao, Xiaoyan ORCID: 0000-0002-3438-575X (2016). Quantum chemical study of the autoxidation of ascorbate. J. Comput. Chem., 37 (20). S. 1914 - 1924. HOBOKEN: WILEY. ISSN 1096-987X

Thesis Abstract

Herrmann, Nils ORCID: 0000-0002-6468-9180 (2022). A Rigorously Spin-Adapted and Spin-Complete Coupled Cluster Method for Arbitrary High-Spin Open-Shell States. Thesis Abstract, Universität zu Köln.