Search for dissertations about: "Atomic and Electronic Structure"

Showing result 1 - 5 of 227 swedish dissertations containing the words Atomic and Electronic Structure.

  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. 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

  5. 3. The Electronic Structure of Organic Molecular Materials : Theoretical and Spectroscopic Investigations

    Author : Iulia Emilia Brumboiu; Barbara Brena; Biplab Sanyal; Olle Eriksson; Jakob Schiøtz; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; materials theory; electronic structure; photoelectron spectroscopy; near-edge X-ray absorption fine structure; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik; Materialvetenskap; Materials Science;

    Abstract : In the present thesis the electronic properties of two organic molecules were studied by means of density functional theory (DFT) in connection to their possible applications in organic photovoltaics and molecular spintronics respectively.The first analysed system is the C60 derivative PCBM extensively used in polymer solar cells for the charge separation process. READ MORE

  6. 4. 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

  7. 5. Nanostructures of Graphite and Amorphous Carbon - Fabrication and Properties

    Author : Hans Fredriksson; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; optical resonance; Raman-spectrum; carbon; optical spectrum; HOPG; GC amorphous carbon; oxidation; Nanofabrication;

    Abstract : Nanoscience is a well-established research area, which concerns properties and fabrication of objects with typical dimensions on the 1-100 nanometer length scale. A central issue has been the development of techniques for fabrication and characterization of nanometer sized objects, which have contributed considerably to progress in both practical applications and fundamental research. READ MORE