Sökning: "Electronic-structure"

Visar resultat 26 - 30 av 451 avhandlingar innehållade ordet Electronic-structure.

  1. 26. Electronic structure studies and method development for complex materials

    Författare :Andreas Östlin; Levente Vitos; László Udvardi; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; electronic structure theory; density functional theory; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : Over the years electronic structure theory has proven to be a powerful method with which one can probe the behaviour of materials, making it possible to describe and predict material properties. The numerical tools needed for these methods are always in need of development, since the desire to calculate more complex materials pushes this field forward. LÄS MER

  3. 27. Inverse factorization in electronic structure theory : Analysis and parallelization

    Författare :Anton G. Artemov; Emanuel H. Rubensson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Scientific Computing; Beräkningsvetenskap;

    Sammanfattning : This licentiate thesis is a part of an effort to run large electronic structure calculations in modern computational environments with distributed memory. The ultimate goal is to model materials consisting of millions of atoms at the level of quantum mechanics. LÄS MER

  4. 28. Physics of Strong Correlations in Electronic Structure and Model Calculations

    Författare :Urban Lundin; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Strongly correlated electrons; Electronic structure calculations; Fysik; Physics; Fysik; fysik; Physics;

    Sammanfattning : Using field theoretical methods models of strongly correlated electrons have been investigated. Application to electronic structure calculations has been made. LÄS MER

  5. 29. Multipoles in Correlated Electron Materials

    Författare :Francesco Cricchio; Lars Nordström; Peter Oppeneer; Igor Solovyev; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; correlated electrons; magnetic ordering; multipoles; actinides; hidden order; high temperature superconductors; Fe pnictides; electronic structure calculations; Condensed matter physics; Kondenserade materiens fysik; Superconductivity; Supraledning; Electronic structure; Elektronstruktur; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Electronic structure calculations constitute a valuable tool to predict the properties of materials. In this study we propose an efficient scheme to study correlated electron systems with essentially only one free parameter, the screening length of the Coulomb potential. LÄS MER

  7. 30. On the electronic structure of metals

    Författare :Gunnar Arbman; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : .... LÄS MER