63 research outputs found
Comparison of ultrafast electron and X-ray diffraction - a computational study
We compare ultrafast electron and X-ray diffraction using quantum molecular dynamics simulations in photoexcited ethylene. The simulations of ethylene are done using the ab-initio multiconfigurational Ehrenfest (AI-MCE) approach, with electronic structure calculations at the SA3-CASSCF(2,2)/cc-ppVDZ level. The diffraction signal is calculated using the independent atom model. We find that the electron diffraction is more sensitive the dynamics of the hydrogen atoms in the molecule
Bestimmung der Atomabstände in den Thallium- und Tellurhalogeniden durch Elektronenbeugung
Über interferometrische Abstandsmessungen in Benzol- und Tetrabromkohlenstoff-Molekülen mittels Röntgenstrahlen
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