Sökning: "atomic structure calculations"
Visar resultat 1 - 5 av 177 avhandlingar innehållade orden atomic structure calculations.
1. Theoretical Atomic Spectroscopy of Earthbound and Stellar Plasma
Sammanfattning : Motivated by spectroscopic analysis of astrophysical and laboratory plasma, this thesis concerns the fundamental structure and spectral properties of atoms and their ions. The multiconfiguration Dirac-Hartree-Fock (MCDHF) method is used to predict the emission or absorption of radiation, by atomic systems in general, and of heavy and highly charged ions in particular. LÄS MER
2. Theoretical Studies of Atomic Structure, Radiative Transitions and Interference Effects
Sammanfattning : Theoretical calculations concerning the advanced understanding of atomic structure and transitions has been performed for some atomic systems. The importance of different types of correlation depending on system has been investigated both using relativistic and non-relativistic quantum mechanics. LÄS MER
3. Formation stability and electronic structure of surfaces and interfaces from first principles
Sammanfattning : This thesis deals with two closely interwoven aspects of first-principle(density functional theory) materials modeling:(1)~prediction of atomic structure & chemical composition,and (2)~prediction of electronic properties.In the first part, we focus on atomic structure (AS) and chemical composition (CC) of surface and interface systems. LÄS MER
4. Atomic Electrons as Sensitive Probes of Nuclear Properties and Astrophysical Plasma Environments : A Computational Approach
Sammanfattning : This thesis deals with the relativistic modeling of atoms and ions. To interpret the stellar spectra and gain more insight from astrophysical observations, the underlying processes that generate the spectra need to be well understood and described. LÄS MER
5. Photoelectron Spectroscopy on Atoms, Molecules and Clusters : The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers
Sammanfattning : Atoms, molecules and clusters all constitute building blocks of macroscopic matter. Therefore, understanding the electronic and geometrical properties of such systems is the key to understanding the properties of solid state objects. LÄS MER