Sökning: "electron density of states"

Visar resultat 1 - 5 av 152 avhandlingar innehållade orden electron density of states.

  1. 1. Electronic states of adsorbates and insulating overlayers on metal surfaces

    Författare :Fredrik Olsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Shockley surface states; local density of states; scanning tunneling microscope; chemisorption; sodium chloride; noble metals; image states; electronic states; density functional theory;

    Sammanfattning : Electronic states of adsorbates and insulating overlayers provide a wealth of scientifically interesting phenomena with great technological importance. Interesting phenomena arise, for example, from the interaction of electronic states of an adsorbate with the continuum of metal electron states, both propagating bulk states and surface states. LÄS MER

  3. 2. Creating and Probing Extreme States of Materials : From Gases and Clusters to Biosamples and Solids

    Författare :Bianca Iwan; Nicusor Timneanu; Janos Hajdu; Stacey Sorensen; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; free-electron laser; ultrashort X-rays; non-equilibrium plasma; Coulomb explosion; isotope effect; hydrodynamic expansion; ion acceleration; high intensity lasers; ablation; time-of-flight spectroscopy; Fysik; Physics;

    Sammanfattning : Free-electron lasers provide high intensity pulses with femtosecond duration and are ideal tools in the investigation of ultrafast processes in materials. Illumination of any material with such pulses creates extreme conditions that drive the sample far from equilibrium and rapidly convert it into high temperature plasma. LÄS MER

  4. 3. Quantum Chemical Studies of Protein-Bound Chromophores, UV-Light Induced DNA Damages, and Lignin Formation

    Författare :Bo Durbeej; Leif Eriksson; Tim Clark; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Quantum chemistry; quantum chemistry; calculations; density functional theory; excited states; photochemistry; chromophores; absorption spectra; bathochromic shift; isomerization; UV radiation; DNA damages; cycloaddition reactions; photoenzymic repair; electron transfer; lignin; polymerization; phenoxy radicals; dilignols; Kvantkemi; Quantum chemistry; Kvantkemi;

    Sammanfattning : Quantum chemical methods have been used to provide a better understanding of the photochemistry of astaxanthin and phytochromobilin; the photoenzymic repair of UV-light induced DNA damages; and the formation of lignin. The carotenoid astaxanthin (AXT) is responsible for the colouration of lobster shell. LÄS MER

  5. 4. Ultrafast, Non-Equilibrium Electron Transfer Reactions of Molecular Complexes in Solution

    Författare :Jonas Petersson; Leif Hammarström; Antonín Vlček; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; electron transfer; laser; spectroscopy; transient absorption; anisortopy; inter ligand electron transfer; dye sensitized solar cell; DSSC; vibrational relaxation; ultrafast dynamics; fs spectroscopy; Kemi med inriktning mot kemisk fysik; Chemistry with specialization in Chemical Physics;

    Sammanfattning : Photoinduced electron transfer is a fundamentally interesting process; it occurs everywhere in the natural world. Studies on electron transfer shed light on questions about the interaction between molecules and how the dynamics of these can be utilized to steer the electron transfer processes to achieve a desired goal. LÄS MER

  7. 5. Correlated Electronic Structure of Materials : Development and Application of Dynamical Mean Field Theory

    Författare :Patrik Thunström; Olle Eriksson; Alexander Lichtenstein; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DFT; DMFT; correlation; entanglement; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : This thesis is dedicated to the development, implementation and application of a combination of Density Functional Theory and Dynamical Mean Field Theory. The resulting program is shown through several examples to be a powerful and flexible tool for calculating the electronic structure of strongly correlated materials. LÄS MER