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Showing 1 to 4 of 4 for “"electron structure"”.
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Excited states and transition metal compounds with quantum Monte Carlo
To the most challenging electron structure calculations belong weak interactions, excited state calculations, transition metals and properties. In this work the performance of variational (VMC) and fixed-node diffusion quantum Monte Carlo (FN-DMC) is tested for challenging electron structure …
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Using fusion-product spectroscopy to study inertial fusion implosions, stopping power, and astrophysical nucleosynthesis at OMEGA and the NIF
… measurement is also a strong constraint on WDM electron structure models. Finally, nuclear diagnostics have been used to study several fusion reactions relevant to astrophysics. Unlike prior work using accelerators, these measurements are the first to be done in a hot plasma, like astrophysical …
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Complex Formation of Pyridine Oximes with Divalent Transition Metal Ions in Aqueous Soluition
… and their stability constants. In addition, the structure of the crystallized pyridine-2,6-carboxamidoxime complex with the formula [Ni(HL)2]∙4H2O has been determined with X-ray measurements. The complexes of types Co(HL)2+ and Co(HL)22+ are mainly octahedral with a high spin d7 electron …
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Struktur und elektronische Eigenschaften geordneter binärer Dünnschichtverbindungen Seltener Erden mit Übergangsmetallen
Die vorliegende Arbeit beschäftigt sich mit der Präparation strukturell geordneter Dünnschichtverbindungen der Seltenen Erden Ce und Dy mit den Übergangsmetallen Pd, Rh, und Ni sowie der Untersuchung ihrer kristallinen und elektronischen Struktur. Die Präparation der typischerweise 10 nm starken …