Sökning: "ionization energies"
Visar resultat 1 - 5 av 45 avhandlingar innehållade orden ionization energies.
1. Static and Dynamic Correlation Effects in Atoms
Sammanfattning : The thesis considers the effects of electron correlation by studying the two opposite limits of atoms in the ground state and atoms in strong laser pulses. Computational methods and theoretical approaches differ significantly due to the different physical processes that are studied in these two cases. LÄS MER
2. Multi-Electron Coincidence Studies of Atoms and Molecules
Sammanfattning : This thesis concerns multi-ionization coincidence measurements of atoms and small molecules using a magnetic bottle time-of-flight (TOF) spectrometer designed for multi-electron coincidence studies. Also, a time-of-flight mass spectrometer has been used together with the TOF electron spectrometer for electron-ion coincidence measurements. LÄS MER
3. Ionization and Fragmentation of Complex Molecules and Clusters : Biomolecules and Polycyclic Aromatic Hydrocarbons
Sammanfattning : This work deals with ionization and fragmentation of biomolecules and polycyclic aromatic hydrocarbon (PAH) molecules. They are studied in the gas phase both as isolated molecules and as weakly bound clusters. LÄS MER
4. Quantum and quantum-classical calculations of core-ionized molecules in varied environments
Sammanfattning : Computational quantum chemistry methods have been applied in two particular cases: to provide insight to photoionization induced fragmentation of HgBr2 and HgCl2 molecules, and to study core-electron binding energies and chemical shifts of molecules in liquid, surface adsorbed and polymeric environments in the framework of quantum mechanics/molecular mechanics (QM/MM). In the photodissociation studies the computational work is based on the relativistic Dirac equation as the systems present strong spin-orbit interaction affecting the fragmentation processes. LÄS MER
5. Structure and Dynamics of Core-Excited Species
Sammanfattning : In this thesis we have performed core-electron spectroscopy studies of gas phase molecular systems starting with smaller diatomic, continuing with triatomic and extending our research to more complex polyatomic ones. We can subdivide the results presented here into two categories: the first one focusing on electronic fine structure and effect of the chemical bonds on molecular core-levels and the other one dealing with nuclear dynamics induced by creation of a core hole. LÄS MER
