3 Publikationen
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2019 | Dissertation | PUB-ID: 2935983Venghaus F. Development of novel techniques for the robust diabatization of accurate electronic structure data. Bielefeld: Universität Bielefeld; 2019.PUB
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2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2903041Venghaus F, Eisfeld W. Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS. 2016;144(11): 114110.PUB | DOI | WoS | PubMed | Europe PMC
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2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2907730Wittenbrink N, Venghaus F, Williams D, Eisfeld W. A new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatz. JOURNAL OF CHEMICAL PHYSICS. 2016;145(18): 184108.PUB | DOI | WoS | PubMed | Europe PMC