3 Publikationen
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2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2919057Extension of the effective relativistic coupling by asymptotic representation (ERCAR) approach to multi-dimensional potential energy surfaces: 3D model for CH3IPUB | DOI | WoS
Wittenbrink, Nils, 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). , 2018 -
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2911006An improved spin-orbit coupling model for use within the effective relativistic coupling by asymptotic representation (ERCAR) methodPUB | DOI | WoS | PubMed | Europe PMC
Wittenbrink, Nils, An improved spin-orbit coupling model for use within the effective relativistic coupling by asymptotic representation (ERCAR) method. JOURNAL OF CHEMICAL PHYSICS 146 (14). , 2017 -
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