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Spin–orbit relativistic time dependent density functional theory calculations for the description of core electron excitations: TiCl 4 case study

Autor: Fronzoni, G., Stener, M., Decleva, P., Wang, F., Ziegler, T., van Lenthe, E., Baerends, E.J.

Publikováno v: In Chemical Physics Letters 2005 416(1):56-63

A least squares multicenter approach to continuum wave functions

Autor: Osinga, V.P, Oostenbrink, B.C, van Lenthe, E, Fonseca Guerra, C, Baerends, E.J

Publikováno v: In Chemical Physics 2002 284(3):565-574

A DFT/TDDFT interpretation of the ground and excited states of porphyrin and porphyrazine complexes

Autor: Baerends, E.J ^*, Ricciardi, G, Rosa, A ^*, van Gisbergen, S.J.A

Publikováno v: In Coordination Chemistry Reviews 2002 230(1):5-27

Comment on 'Kohn-Sham exchange-correlation potentials from second-order reduced density matrices' [J. Chem. Phys. 2015, 143, 244116]

Autor: Baerends, E.J., Gritsenko, O.V.

Publikováno v: Journal of Chemical Physics, 145:037101. American Institute of Physics Publising LLC
Baerends, E J & Gritsenko, O V 2016, ' Comment on "Kohn-Sham exchange-correlation potentials from second-order reduced density matrices" [J. Chem. Phys. 2015, 143, 244116]. ', Journal of Chemical Physics, vol. 145, 037101 . https://doi.org/10.1063/1.4958623

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https://research.vu.nl/en/publications/b8ee78b4-1e71-45c5-b8c1-4239ce57f152