Search for dissertations about: "Juha Vaara"

Found 2 swedish dissertations containing the words Juha Vaara.

  2. 1. Molecular Quadratic Response Properties with Inclusion of Relativity

    Author : Johan Henriksson; Patrick Norman; Juha Vaara; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; relativistic quantum chemistry; molecular physics; clamping levels; four-component Hartree-Fock theory; Kohn-Sham density functional theory; response theory; nonlinear optics; second-harmonic generation; two-photon absorption; excited state properties; optical power limiting; Computational physics; Beräkningsfysik;

    Abstract : This thesis concerns quadratic response properties and their application to properties in Jablonski diagrams such as resonant two-photon absorption and excited state absorption. Our main interest lies in optical power limiting applications, and in this context, molecules containing heavy metal atoms prove superior. READ MORE

  4. 2. Combined Quantum Mechanical and Molecular Dynamics study of paramagnetic complexes : Towards an understanding of electronic spin relaxation

    Author : Shehryar Khan; Michael Odelius; Jozef Kowalewski; Juha Vaara; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; molecular dynamics; quantum chemistry; zero-field splitting; kemisk fysik; Chemical Physics;

    Abstract : The prime objectives of contrast agents in Magnetic Resonance Imaging (MRI) is to accelerate the relaxation rate of the solvent water protons in the surrounding tissue. Paramagnetic relaxation originates from dipole-dipole interactions between the nuclear spins and the fluctuating magnetic field induced by unpaired electrons. READ MORE