Search for dissertations about: "Electron correlation calculations"

Showing result 1 - 5 of 69 swedish dissertations containing the words Electron correlation calculations.

  2. 1. Multi-Electron Coincidence Studies of Atoms and Molecules

    Author : Egil Andersson; Raimund Feifel; Jan-Erik Rubensson; Kiyoshi Ueda; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; multi-ionization; electron emission; time-of-flight spectroscopy; coincidence spectroscopy; core-valence ionization; synchrotron radiation; electron correlation; Atomic and molecular physics; Atom- och molekylfysik; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : 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. READ MORE

  4. 2. Theoretical Studies of Magnetism and Electron Correlation in Solids

    Author : Oscar Grånäs; Lars Nordström; Biplab Sanyal; Silke Biermann; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Magnetism; Superconductivity; Electron Correlation; DMFT; DFT; Actinides; multipoles; hidden order; magnetic anisotropy; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : This work presents new development and applications of ab-initio simulation tools for material science. Focus lies on materials with strong electronic correlation and strong spin-orbit coupling. READ MORE

  5. 3. Computational Atomic Structures Toward Heavy Element Research

    Author : Sacha Schiffmann; Matematisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Atoms; electron correlation; relativity; Quantum mechanics; calculations; natural orbitals; isotope shifts; hyperfine structures; transition parameters; Landé g factor; Fysicumarkivet A:2021:Schiffmann;

    Abstract : We are interested in complex electronic structures of various atomic and ionics systems. We use an ab initioapproach, the multiconfigurational Dirac-Hartree-Fock (MCDHF), to compute atomic structures and properties. READ MORE

  6. 4. Autoionizing states and their relevance in electron-ion recombination

    Author : Dragan Nikolić; Eva Lindroth; Gleb Gribakin; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Electron-ion recombination; Autoionization; Electron correlation calculations; Doubly excited states; Relativistic many-body perturbation theory; Coupled-cluster methodology; Intruder state problem; Physics; Fysik;

    Abstract : Atomic physics plays an important role in determining the evolution stages in a wide range of laboratory and cosmic plasmas. Therefore, the main contribution to our ability to model, infer and control plasma sources is the knowledge of underlying atomic processes. READ MORE

  7. 5. Static and Dynamic Correlation Effects in Atoms

    Author : Nils-Erik Dahlen; Matematisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; magnetic and optical properties; electrical; Condensed matter:electronic structure; relaxation; magnetic resonance; supraconductors; spectroscopy; Kondenserade materiens egenskaper:elektronstruktur; Atom- och molekylärfysik; Atomic and molecular physics; spektroskopi; magnetisk resonans; egenskaper elektriska; supraledare; magnetiska och optiska ; variational energies; double ionization; Electron correlation; laser-atom interaction; Fysicumarkivet A:2002:Dahlen; conserving approximations; Green s functions; GW-approximation;

    Abstract : 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. READ MORE