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