Sökning: "long-range correlation"

Visar resultat 11 - 15 av 22 avhandlingar innehållade orden long-range correlation.

  1. 11. Theoretical Study of Vibronic Spectra of Molecule Systems Generated by Photo- and Electronic Excitations

    Författare :Ce Song; Yi Luo; Ying Zhang; KTH; []
    Nyckelord :Bioteknologi; Biotechnology;

    Sammanfattning : Spectra represent fingerprints of molecules, which contain unique information about their properties. Through analyzing the spectral data, one can reveal the molecules' energy level alignments, identify their species and geometric structures, and explore relevant chemical processes and microscopic mechanisms. LÄS MER

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

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

    Sammanfattning : 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. LÄS MER

  4. 13. Phase transitions in novel superfluids and systems with correlated disorder

    Författare :Hannes Meier; Mats Wallin; Asle Sudbø; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; condensed matter physics; phase transitions; critical phenomena; spin models; quantum phase transitions; quantum fluids; superfluidity; superconductivity; disordered systems; Bose glass; dirty bosons; vortex pinning; statistical mechanics; Monte Carlo simulation; Wolff algorithm; classical worm algorithm; Wang-Landau algorithm; Fysik; Physics;

    Sammanfattning : Condensed matter systems undergoing phase transitions rarely allow exact solutions. The presence of disorder renders the situation  even worse but collective Monte Carlo methods and parallel algorithms allow numerical descriptions. LÄS MER

  5. 14. First-principles investigations of ordering in binary alloys

    Författare :Moshiour Rahaman; Andrei Ruban; Staunton Julie; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ordering; random; alloys;

    Sammanfattning : The aim of the thesis is to study ordering in binary alloys on the basis of first-principles or {\it ab-initio} techniques employing density functional theory (DFT). The ordering phenomena of materials are of crucial importance for technological applications. LÄS MER

  7. 15. Electromagnetic Field Induced Out-of-Equilibrium Structural Dynamics in Protein Crystals: From Picoseconds to Milliseconds

    Författare :Viktor Ahlberg Gagnér; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Terahertz radiation; low frequency vibrations; B-factors; ADP tensor; bovine trypsin; FemtoMAX; resampling; femtosecond structural dynamics; millisecond structural dynamics; LCLS; displacements; distances; photosynthetic reaction center;

    Sammanfattning : Light-induced interactions in biomolecules are strongly varying over different model systems. Most amino acids and proteins absorb ultraviolet light, but only a few with specialised chromophores or fluorophores, are able to absorb light in the visible spectrum. LÄS MER