Sökning: "electronic structure"
Visar resultat 21 - 25 av 1536 avhandlingar innehållade orden electronic structure.
21. Correlated Electronic Structure of Materials : Development and Application of Dynamical Mean Field Theory
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
22. Electronic Transport in Strained Materials
Sammanfattning : In this thesis the conductivity of strained materials has been investigated using density functional theory and a semiclassical transport theory based on the Boltzmann equation.In transition metals trends are reproduced without adjustable parameters. LÄS MER
23. Electronic structure of semiconductor surfaces : reconstructions and surface reactions
Sammanfattning : .... LÄS MER
24. On the role of the electron-electron interaction in two-dimensional quantum dots and rings
Sammanfattning : Many-Body Perturbation Theory is put to test as a method for reliable calculations of the electron-electron interaction in two-dimensional quantum dots. We show that second order correlation gives qualitative agreement with experiments on a level which was not found within the Hartree-Fock description. LÄS MER
25. Structure and energetics of kappa alumina (-Al2O3) calculated from first principles
Sammanfattning : .... LÄS MER