3 Publikationen
-
2019 | Dissertation | PUB-ID: 2935983Venghaus, F. (2019). Development of novel techniques for the robust diabatization of accurate electronic structure data. Bielefeld: Universität Bielefeld.PUB
-
2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2903041Venghaus, 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. doi:10.1063/1.4943869PUB | DOI | WoS | PubMed | Europe PMC
-
2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2907730Wittenbrink, 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. doi:10.1063/1.4967258PUB | DOI | WoS | PubMed | Europe PMC