Sökning: "Sergey Polyutov"

Hittade 3 avhandlingar innehållade orden Sergey Polyutov.

  1. 1. Multidimensional nuclear dynamics studied by resonant X-ray scattering and pump-probe spectroscopy

    Författare :Viktoriia Savchenko; Victor Kimberg; Faris Gel'mukhanov; Sergey Polyutov; Sergey Bokarev; KTH; []
    Nyckelord :Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Sammanfattning : This thesis is devoted to the theoretical studies of the multidimensional nuclear dynamics in molecules with the help of X-ray and pump-probe spectroscopy. Using an accurate yet computationally cheap mixed approach multimode X-ray absorption spectra (XAS) and resonant inelastic X-ray scattering (RIXS) spectra of water, methanol, and acetic acid were calculated and compared with the available experimental spectra in the gas and liquid phases. LÄS MER

  3. 2. 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

  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