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