3 Publikationen
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2019 | Dissertation | PUB-ID: 2935983PUBVenghaus, F. (2019). Development of novel techniques for the robust diabatization of accurate electronic structure data. Bielefeld: Universität Bielefeld.
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2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2903041PUB | DOI | WoS | PubMed | Europe PMCVenghaus, F. & Eisfeld, W. (2016). Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS, 144(11): 114110. Amer Inst Physics. doi:10.1063/1.4943869.
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2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2907730PUB | DOI | WoS | PubMed | Europe PMCWittenbrink, N., Venghaus, F., Williams, D. & Eisfeld, W. (2016). A new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatz. JOURNAL OF CHEMICAL PHYSICS, 145(18): 184108. Amer Inst Physics. doi:10.1063/1.4967258.