The one-particle Green’s function method in the Dirac–Hartree–Fock framework. II. Third-order valence ionization energies of the noble gases, CO and ICN.

Autor: Pernpointner, M.

Publikováno v: Journal of Chemical Physics; 11/8/2004, Vol. 121 Issue 18, p8782-8791, 10p, 1 Diagram, 5 Charts

Using ICD for structural analysis of clusters: A case study on NeAr clusters

Autor: Fasshauer, E, Förstel, M, Pallmann, S, Pernpointner, M, Hergenhahn, U

Publikováno v: New Journal of Physics
Fasshauer, E, Foerstel, M, Pallmann, S, Pernpointner, M & Hergenhahn, U 2014, ' Using ICD for structural analysis of clusters : a case study on NeAr clusters ', New Journal of Physics, vol. 16, 103026 . https://doi.org/10.1088/1367-2630/16/10/103026

We present a method to utilize interatomic Coulombic decay (ICD) to retrieve information about the mean geometric structures of heteronuclear clusters. It is based on observation and modelling of competing ICD channels, which involve the same initial

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::511ba10fc339ac630df6254112ad41db
https://hdl.handle.net/11858/00-001M-0000-0024-4A52-E21.11116/0000-0006-486D-0

Parallelization of the Dirac-Fock Package MOLFDIR: A Pathway for the Treatment of Large Relativistic Systems

Autor: Pernpointner, M., de Jong, W. A., Visscher, L., Broer, R.

Publikováno v: Jülich : John von Neumann Institute for Computing, NIC series 2, 50 pp. (2000).
NIC Series Volume 2 : Modern Methods and Algorithms of Quantum Chemistry, Poster Presentations, Johannes Grotendorst (Editor), chapter 50, p. 50, Jülich : John von Neumann Institute for Computing, 2000. ISBN: 3-00-005746-3

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3364::68a394414cad46c4c31503a9834fb9f5
https://juser.fz-juelich.de/record/152445

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.