Development of novel techniques for the robust diabatization of accurate electronic structure data

Venghaus F (2019)
Bielefeld: Universität Bielefeld.

Dissertation | Englisch
 
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Autor*in
Venghaus, FlorianUniBi
Gutachter*in / Betreuer*in
Eisfeld, WolfgangUniBi
Einrichtung
Fakultät für Chemie
Erscheinungsjahr
2019
Page URI
https://pub.uni-bielefeld.de/record/2935983

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Venghaus F. Development of novel techniques for the robust diabatization of accurate electronic structure data. Bielefeld: Universität Bielefeld; 2019.
Venghaus, F. (2019). Development of novel techniques for the robust diabatization of accurate electronic structure data. Bielefeld: Universität Bielefeld.
Venghaus, F. (2019). Development of novel techniques for the robust diabatization of accurate electronic structure data. Bielefeld: Universität Bielefeld.
Venghaus, F., 2019. Development of novel techniques for the robust diabatization of accurate electronic structure data, Bielefeld: Universität Bielefeld.
F. Venghaus, Development of novel techniques for the robust diabatization of accurate electronic structure data, Bielefeld: Universität Bielefeld, 2019.
Venghaus, F.: Development of novel techniques for the robust diabatization of accurate electronic structure data. Universität Bielefeld, Bielefeld (2019).
Venghaus, Florian. Development of novel techniques for the robust diabatization of accurate electronic structure data. Bielefeld: Universität Bielefeld, 2019.
Material in PUB:
Teil dieser Dissertation
A new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatz
Wittenbrink N, Venghaus F, Williams D, Eisfeld W (2016)
JOURNAL OF CHEMICAL PHYSICS 145(18): 184108.
Teil dieser Dissertation
Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces
Venghaus F, Eisfeld W (2016)
JOURNAL OF CHEMICAL PHYSICS 144(11): 114110.

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