Sökning: "heavy atom effect"

Visar resultat 1 - 5 av 14 avhandlingar innehållade orden heavy atom effect.

  1. 1. Theoretical calculations of heavy atom effects in magnetic resonance spectroscopy

    Författare :Corneliu I. Oprea; Hans Ågren; Patrik Norman; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; nuclear spin-spin coupling tensor; nuclear shielding tensor; heavy atom effect; hyperfine coupling tensor; restricted-unrestricted approach; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : This thesis presents quantum chemical calculations, applications of the response function formalism recently implemented within the framework of density functional theory (DFT) by our research group. The purpose of the calculations is to assess the performance of this perturbative approach to determining heavy atom effects on magnetic resonance parameters. LÄS MER

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

    Författare :Jon Grumer; Matematisk fysik; []
    Nyckelord :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;

    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

  4. 3. Computational Atomic Structure: Applications to Astrophysics and Nuclear Structure

    Författare :Asimina Papoulia; Matematisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : This thesis deals with the modelling of atoms and ions. In heavy systems, where the effect of the nuclear size must be considered, a fully relativistic treatment based on the Dirac-Coulomb Hamiltonian is needed. LÄS MER

  5. 4. Laser-Driven Plasma Waves for Particle Acceleration and X-ray Production

    Författare :Guillaume Genoud; Atomfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Laser plasma acceleration of electrons and protons; laser-wakefield acceleration; plasma waves; plasma-wiggler radiation; betatron radiation; laser guiding; laser pointing stabilisation;

    Sammanfattning : This thesis presents experimental results related to laser plasma accelerators. These rely on very different principles from conventional particle accelerators. LÄS MER

  7. 5. Application of Laser-based Diagnostics to a Prototype Gas Turbine Burner at Selected Pressures

    Författare :Ronald Whiddon; Förbränningsfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; OH; Laser Diagnostics; Elevated Pressure; Syngas; DLE; NOx; Combustion; Gas Turbine; PIV; PLIF; Pilot; SGT-750; Fysicumarkivet A:2014:Whiddon;

    Sammanfattning : The matured laser-diagnostic techniques of planar laser-induced fluorescence (PLIF) and particle image velocimetry (PIV) were applied to a prototype gas turbine burner operating on various fuels. The work was performed to provide verification of computational fluid dynamic (CFD) models of the combustion of atypical fuels in a gas turbine combustor. LÄS MER