Sökning: "Nuclear vibrations"

Visar resultat 1 - 5 av 17 avhandlingar innehållade orden Nuclear vibrations.

1. 1. Theoretical Design of Molecular Photonic Materials

   Författare :Yanhua Wang; Yi Luo; David Beljonne; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Optical property; Molecular material; Solvent environment; Nuclear vibrations; Aggregation effect; Theoretical chemistry; Teoretisk kemi;

   Sammanfattning : This thesis presents a theoretical study on optical properties of molecular materials. Special emphasis has been put on the influence of solvent environment, nuclear vibrations, and aggregation effects on molecular properties like linear and nonlinear polarizabilities, one- and two-photon absorption probabilities. LÄS MER

3. 2. Orphan source detection in mobile gamma-ray spectrometry - Improved techniques for background assessment

   Författare :Peder Kock; Malmö Medicinsk strålningsfysik; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Gamma spectrometry; airborne; car-borne; radioactive; orphan sources; hypothesis testing; background radiation;

   Sammanfattning : Hazardous radioactive sources out of regulatory control are referred to as orphan sources. Focussing on gamma-emitting orphan sources, this thesis describes methods that can be used in mobile gamma-ray spectrometry to perform real-time discrimination between an actual source signal and the signal due to the natural radiation background. LÄS MER

4. 3. Multimode resonant X-ray scattering of free molecules

   Författare :Nina Ignatova; Victor Kimberg; Faris Gel’mukhanov; Sergey Polyutov; Hans Ågren; Piero Decleva; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; X-ray absorption spectroscopy; core-excited state; nuclear dynamic; wave-packet; resonant inelastic X-ray scattering; Franck-Condon; water; methanol; water isotopomer; pump-probe; quantum chemistry; ultrafast dissociation; Kemi; Chemistry; Fysik; Physics;

   Sammanfattning : This thesis is focused on the role that nuclear dynamics plays in the formation of X-ray absorption (XAS) and resonant inelastic X-ray scattering (RIXS) spectra of multimode free molecules. A combined approach based on ab initio electronic structure methods and quantum nuclear wave packet dynamics is applied to two systems -- water and methanol in the gas phase. LÄS MER

5. 4. Electron-nuclear Dynamics in Nonlinear Optics and X-ray spectroscopy

   Författare :Sergey Polyutov; Faris Gelmukhanov; Patrick Norman; KTH; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Biochemistry; Biokemi;

   Sammanfattning : This thesis is devoted to theoretical studies of the role of nuclear vibrations on nonlinear and linear absorption, pulse propagation, and resonant scattering of light. The molecular parameters needed for the simulations are obtained through suitable quantum chemical calculations, which are compared with available experimental data. LÄS MER

7. 5. On a Hydrogen Pellet Target for Antiproton Physics with PANDA

   Författare :Örjan Nordhage; Ulrich Wiedner; Eberhard Widmann; Uppsala universitet; []
   Nyckelord :Nuclear physics; PANDA; Internal target; Pellet target; Beam-target interaction; Vacuum; Tracking; D-meson decay length; Kärnfysik;

   Sammanfattning : The PANDA experiment is a part of the future FAIR accelerator facility and will study the strong interaction by detecting the reaction products from antiproton-proton annihilations in a near full solid-angle configuration. One option for the internal proton target in PANDA is frozen micro-spheres of hydrogen, so-called pellets. LÄS MER