Sökning: "Franck-Condon"

Visar resultat 1 - 5 av 16 avhandlingar innehållade ordet Franck-Condon.

  1. 1. Electron-Phonon Interactions in Transition Metal Oxides Studied by Resonance Raman Scattering

    Författare :Jakob Andreasson; Chalmers University of Technology; []
    Nyckelord :Franck-Condon; Fr ohlich interaction; higher order scattering; perovskite; transition metal oxide; two-phonon; oxygen breathing mode; Raman spectroscopy;

    Sammanfattning : In this thesis, studies of strong electron-phonon interactions in a number of transition metal oxides are presented. Two different electron-phonon interaction mechanisms are identified; Franck-Condon scattering and infrared active longitudinal optical (IR LO) two-phonon activation. LÄS MER

  2. 2. Multimode resonant X-ray scattering of free molecules

    Författare :Nina Ignatova; Victor Kimberg; Faris Gel’mukhanov; Sergey Polyutov; Hans Ågren; Piero Decleva; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; 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; Physics; Fysik;

    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

  3. 3. Neutral dissociation and non Franck-Condon effects in valence excited NG2 and OG2 molecules

    Författare :Jaume Rius I Riu; KTH; []
    Nyckelord :;

    Sammanfattning : .... LÄS MER

  4. 4. Calculated Potential Energy Surfaces and Vibrational Analysis

    Författare :Niclas Forsberg; Teoretisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Benzene; HCO; NEMO; Imaginary Level Shift; Double Harmonic Approximation; Potential Energy Surface; CASPT2; Franck-Condon Factors; CASSCF; p-Benzosemiquinone; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

    Sammanfattning : The focus of this thesis is on the calculation of potential energy surfaces and on the study of vibrational properties. For example: - We have developed a new method for calculation of Franck-Condon factors. - We have calculated full energy surfaces of the ground (X2A’) the excited (B2A’) states of the formyl radical. LÄS MER

  5. 5. Quantal matrix elements and Franck-Condon overlap integrals calculated by means of a phase-integral method

    Författare :Finn Karlsson; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP;

    Sammanfattning : .... LÄS MER