Sökning: "density of states"

Visar resultat 21 - 25 av 391 avhandlingar innehållade orden density of states.

1. 21. Dynamics of excited electronic states in functional materials

   Författare :Raquel Esteban-Puyuelo; Biplab Sanyal; Oscar Grånas; Patrik Rinke; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : Non-equilibrium processes involving excited electron states are very common in nature. This work summarizes some of the theoretical developments available to study them in finite and ex-tended systems. LÄS MER

3. 22. Theory and Modelling of Functional Materials

   Författare :Vancho Kocevski; Jan Rusz; Christophe Delerue; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; nanocrystals; graphene; alloys; density functional theory; optical properties; electronic properties; core-shell structures; semiconductors;

   Sammanfattning : The diverse field of material research has been steadily expanding with a great help from computational physics, especially in the investigation of the fundamental properties of materials. This has driven the computational physics to become one of the main branches of physics, allowing for density functional theory (DFT) to develop as one of the cornerstones of material research. LÄS MER

4. 23. Out of the Dark and into the Light - Microscopic Analysis of Bright, Dark and Trapped Excitons

   Författare :Maja Feierabend; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; density matrix formalism; localized states; impurities; dark excitons; strain; transition metal dichalcogenides; Bloch equations;

   Sammanfattning : Atomically thin transition metal dichalcogenides (TMDs) have been in the focus of current research due to their efficient light-matter interaction, as well as the remarkably strong Coulomb interaction that leads to tightly bound excitons. Due to their unique band structure, TMDs show a variety of optically accessible bright and inaccessible dark excitons. LÄS MER

5. 24. 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

7. 25. Algorithms and Interaction Potentials: phase density, surface tension and carbon dioxide

   Författare :Rasmus Persson; Göteborgs universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; surface tension; carbon dioxide; density of states; bicalutamide;

   Sammanfattning : This thesis is an amalgamation of articles (Papers I–V) by the author. We present a perturbation algorithm to calculate the phase density, and thus the partition function including its temperature dependence. LÄS MER