Sökning: "relativistic atomic theory"

Visar resultat 16 - 20 av 25 avhandlingar innehållade orden relativistic atomic theory.

  1. 16. On the use of the uniform complex scaling-method for studying time-dependent systems

    Författare :Jakob Bengtsson; Eva Lindroth; Nimrod Moiseyev; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; kemisk fysik; Chemical Physics;

    Sammanfattning : During the last few decades, laser technology has gone through a series of revolutionary improvements. With light pulses in the sub-femtosecond regime now experimentally available, an explicit time-dependent Hamilton operator is indispensable for a proper theoretical description of the interactions of atoms with such pulses. LÄS MER

  2. 17. 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. 18. 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

  4. 19. Ab initio study of transition metal carbides and actinide compounds

    Författare :Weiwei Sun; Pavel Korzhavyi; Igor Di Marco; Börje Johansson; Leon Petit; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Computational material science; material physics; Materials Science and Engineering; Teknisk materialvetenskap;

    Sammanfattning : Two classes of materials are investigated using ab intio methods based on density functional theory. The structural properties, electronic structure and thermodynamic properties of binary and ternary transition metal carbides are discussed in details. In addition, two actinide compounds will be presented. LÄS MER

  5. 20. High Resolution Dielectronic Recombination Studies at CRYRING

    Författare :Zong Weiyong; Donald M Crothers; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; Physics; fysik;

    Sammanfattning : The works presented in this thesis are based on experimental studies on dielectronic recombination (DR) at the Stockholm storage ring CRYRING. The experiments have taken full advantage of the low energy spread of the electron beam provided by the electron cooler of the ring. Energy resolution of 10-1eV at full width half maximum has been achieved. LÄS MER