Sökning: "resonant x-ray scattering"

Visar resultat 21 - 25 av 51 avhandlingar innehållade orden resonant x-ray scattering.

1. 21. Ab initio simulations of vibrational and electronic structure evaluated against K-edge resonant inelastic X-ray scattering

   Författare :Emelie Ertan; Michael Odelius; Laurent Duda; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; resonant inelastic X-ray scattering; hydrogen bonding; ultra fast dynamics; density functional theory; multi-configurational calculations; kemisk fysik; Chemical Physics;

   Sammanfattning : The work of this thesis is focused on investigation of electronic and molecular structure and dynamics a molecular species in solutions and minerals in relation to resonant inelastic X-ray scattering (RIXS). The studies have been carried out by means of quantum chemistry calculations using density functional theory (DFT) and multi-configurational methods and quantum dynamics simulations using wave packet dynamics and ab initio molecular dynamics. LÄS MER

3. 22. Quantum nuclear dynamics in  x-ray scattering and lasing

   Författare :Yasen Velkov; Faris Gel'mukhanov; Reinhold Fink; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi;

   Sammanfattning : This thesis presents a theoretical study of the role of nuclear degrees of freedom in the x-ray absorption, x-ray resonant scattering  and some aspects of the interaction of matter with strong laser fields. Most numerical simulations are performed with a time-dependent wave-packet program that have proved its robustness  in previous investigations. LÄS MER

4. 23. Dynamics of optical and X-ray responses of molecules

   Författare :Alexander Baev; KTH; []
   Nyckelord :two-photon absorption; collisional dephasing; resonant photoemission;

   Sammanfattning : The aim of this licentiatethesis is to investigate by means of theoretical simulationsthe dynamics of light scattering by molecules, with specialemphasis on molecules in gas phase and in solutions.The first part of the thesisconcerns the two-photon absorption (TPA) process in the opticalwavelength region. LÄS MER

5. 24. Theoretical studies of X-ray induced nuclear dynamics

   Författare :Ivaylo Minkov; Hans Ågren; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical physics; Teoretisk fysik; Physics; Fysik;

   Sammanfattning : The present thesis is a theoretical study of several x-ray spectroscopies { x-ray absorption, xray photoelectron, radiative and non-radiative resonant Raman scattering spectroscopy. The main focus point is investigating the role of the nuclear dynamics in molecules (naphthalene, biphenyl, the water dimer, HCl) on these spectra. LÄS MER

7. 25. Electronic structure studies using resonant X-ray and photoemission spectroscopy

   Författare :Martin Magnuson; D D Sarma; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Physics; Fysik; Fysik; Physics;

   Sammanfattning : This thesis addresses the electronic structure of molecules and solids using resonant X-ray emission and photoemission spectroscopy. The use of monochromatic synchrotron radiation and the improved performance of the instrumentation have opened up the possibility of detailed analyses of the response of the electronic systems under interaction with X-rays. LÄS MER