Search for dissertations about: "atomic structure calculations"

Showing result 1 - 5 of 175 swedish dissertations containing the words atomic structure calculations.

  2. 1. Theoretical Atomic Spectroscopy of Earthbound and Stellar Plasma

    Author : Jon Grumer; Matematisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; atomstruktur; atomära processer; elektronkorrelation; plasmaspektroskopi; magnetfält; hyperfinstruktur; solkoronan; rymdväder; förekomst av grundämnen i stjärnor; datorsimuleringar; Zeemaneffekt; relativistiska effekter; atomic structure; atomic processes; computer simulation; electron correlation; relativistic atomic theory; plasma spectroscopy; Zeeman effect; magnetic fields; hyperfine structure; solar corona; space weather; stellar abundances; Fysicumarkivet A:2016:Grumer;

    Abstract : 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. READ MORE

  4. 2. Theoretical Studies of Atomic Structure, Radiative Transitions and Interference Effects

    Author : Martin Andersson; Fysiska institutionen; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Naturvetenskap; Natural science; Computational physics; Zeeman; Transition rate; Lifetime; Hyperfine structure; Interference; Atomic structure;

    Abstract : 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. READ MORE

  5. 3. Formation stability and electronic structure of surfaces and interfaces from first principles

    Author : Jochen Rohrer; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; band structure; van der Waals interaction; electronic structure; graphane; graphene; atomic structure; growth; thin film; interface; density functional theory; CVD; Alumina; nucleation;

    Abstract : 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. READ MORE

  6. 4. Atomic Electrons as Sensitive Probes of Nuclear Properties and Astrophysical Plasma Environments : A Computational Approach

    Author : Asimina Papoulia; Matematisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Fysicumarkivet A:2021:Papoulia; Computational atomic structure; Relativistic atomic theory; Transition probabilities; Abundance analysis; Landé g­-factors; Hyperfine structure; Nuclear quadrupole moments; Isotope shift; Field shift; Nuclear deformation;

    Abstract : 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. READ MORE

  7. 5. Photoelectron Spectroscopy on Atoms, Molecules and Clusters : The Geometric and Electronic Structure Studied by Synchrotron Radiation and Lasers

    Author : Torbjörn Rander; Olle Björneholm; Gunnar Öhrwall; Maxim Tchaplyguine; Matthias Neeb; Uppsala universitet; []
    Keywords : Atomic and molecular physics; Free clusters; Electron spectroscopy; Doped clusters; Laser excitation; Alkali metals; Electronic structure; Geometric structure; X-ray photoelectron spectroscopy XPS ; Resonant Auger spectroscopy RAS ; Near-threshold x-ray absorption fine structure NEXAFS ; Ultraviolet photoelectron spectroscopy UPS ; Detuning; Ultra-fast dissociation UFD ; Sodium; Potassium; Oxygen; Bromomethane; Argon; Xenon; Krypton; Molecular field splitting; Core hole lifetime; Core excitation; Atom- och molekylfysik;

    Abstract : 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. READ MORE