3 Publikationen
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2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2919057Wittenbrink N, Eisfeld W (2018)PUB | DOI | WoS
Extension of the effective relativistic coupling by asymptotic representation (ERCAR) approach to multi-dimensional potential energy surfaces: 3D model for CH3I.
JOURNAL OF CHEMICAL PHYSICS 148(9): 12. -
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2911006Wittenbrink N, Eisfeld W (2017)PUB | DOI | WoS | PubMed | Europe PMC
An improved spin-orbit coupling model for use within the effective relativistic coupling by asymptotic representation (ERCAR) method.
JOURNAL OF CHEMICAL PHYSICS 146(14): 144110. -
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.