Author of the publication

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium

F. Lipparini, T. Kirsch, A. Köhn, and J. Gauss. Journal of chemical theory and computation, 13 (7): 3171-3184 (2017)
DOI: 10.1021/acs.jctc.7b00110

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Andreas K{\"o}hn

Univ. -Prof. Dr. Andreas Köhn University of Stuttgart

Dr. Alf Köhn-Seemann University of Stuttgart

Prof. Dr. Andreas Hotho

Ontology-based Text Document Clustering.A. Hotho, A. Maedche, and S. Staab. KI, 16 (4): 48-54 (2002)

Ontology-based Text Document Clustering.A. Hotho, A. Maedche, and S. Staab. KI, 16 (4): 48-54 (2002)Clustern mit Hintergrundwissen.A. Hotho. Karlsruhe Institute of Technology, (2004)

Junior-Prof. Dr.-Ing. Andreas Pott

Other publications of authors with the same name

Functionalized Nickel Oxide Hole Contact Layers: Work Function versus ConductivityS. Hietzschold, S. Hillebrandt, F. Ullrich, J. Bombsch, V. Rohnacher, S. Ma, W. Liu, A. Köhn, W. Jaegermann, A. Pucci and 4 other author(s). ACS applied materials & interfaces, 9 (45): 39821-39829 (2017)Adsorption Geometries and Electronic Properties of a Dipolar Phosphonate-Based Monolayer on the NiO SurfaceS. Ma, W. Liu, and A. Köhn. The journal of physical chemistry. C, Nanomaterials and interfaces, 126 (12): 5793-5804 (2022)Capabilities and limits of the unitary coupled-cluster approach with generalized two-body cluster operatorsA. Köhn, and J. Olsen. The journal of chemical physics, 157 (12): 124110 (2022)High-accuracy Rb2+ interaction potentials based on coupled-cluster calculationsJ. Schnabel, L. Cheng, and A. Köhn. Physical review. A, Atomic, molecular and optical physics, 106 (3): 032804 (2022)DIII-D research advancing the physics basis for optimizing the tokamak approach to fusion energyM. Fenstermacher, J. Abbate, S. Abe, T. Abrams, M. Adams, B. Adamson, N. Aiba, T. Akiyama, P. Aleynikov, E. Allen and 821 other author(s). Nuclear fusion, 62 (4): 042024 (2022)Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and HafniumF. Lipparini, T. Kirsch, A. Köhn, and J. Gauss. Journal of chemical theory and computation, 13 (7): 3171-3184 (2017)A Series of (MCu3II)-Cu-II Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic PropertiesS. Mondal, S. Mandal, L. Carrella, A. Jana, M. Fleck, A. Köhn, E. Rentschler, and S. Mohanta. Inorganic chemistry, 54 (1): 117-131 (2015)Embedded Multireference Coupled Cluster TheoryD. Coughtrie, R. Giereth, D. Kats, H. Werner, and A. Köhn. Journal of chemical theory and computation, 14 (2): 693-709 (2018)Role of Regioisomeric Bicyclo3.3.0octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2-and 1,4-AdditionsT. Mühlhäuser, A. Savin, W. Frey, A. Baro, A. Schneider, H. Döteberg, F. Bauer, A. Köhn, and S. Laschat. Journal of organic chemistry, 82 (24): 13468-13480 (2017)Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction methodS. Mai, F. Plasser, M. Pabst, F. Neese, A. Köhn, and L. Gonzalez. The journal of chemical physics, 147 (18): 184109 (2017)