Sökning: "functionals"

Visar resultat 1 - 5 av 88 avhandlingar innehållade ordet functionals.

1. 1. van der Waals Density Functionals

   Författare :Ylva Andersson; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; van der Waals molecules; physisorption; van der Waals interactions; density-functional theory; exchange-correlation energy; scanning-force microscopy; adhesion;

   Sammanfattning : Methods using local or semi local approximations (LDA, GGA etc.) for the exchange-correlation energy in the density-functional theory (DFT) do not include van der Waals interactions. LÄS MER

3. 2. Estimating income inequality : large sample inference in finite populations

   Författare :Arne Sandström; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; order statistics and concomitant of order statistics; functionals; stochastic differentials; weighted empirical distribution function; income inequality; Gini coefficient;

   Sammanfattning : During the last decades the interest in measuring income inequality has substantially increased. In this work we consider measures related to the Lorenz Curve, e g the Gini coefficient. These measures are decomposable^ g the inequality in disposable income can be assigned to various income sources. LÄS MER

4. 3. Symmetry in Randomness : Additive Functionals and Symmetries of Random Trees and Tree-Like Graphs

   Författare :Christoffer Olsson; Stephan Wagner; Ralph Neininger; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Random trees; Random graphs; Additive functionals; Automorphisms; Mathematics; Matematik;

   Sammanfattning : Properties of symmetries in random trees and tree-like graphs are explored. The primary structures studied are Galton-Watson trees, unlabeled unordered trees as well as labeled subcritical graphs. LÄS MER

5. 4. Subsystem functionals in density functional theory

   Författare :Richard Armiento; KTH; []
   Nyckelord :;

   Sammanfattning : .... LÄS MER

7. 5. Foundation of Density Functionals in the Presence of Magnetic Field

   Författare :Andre Laestadius; Michael Benedicks; Trygve Helgaker; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Current density functional theory; Hohenberg-Kohn theorems; paramagnetic current density functionals; Kohn-Sham theory; Levy-Lieb functional; variational principle; N-representable; degeneracy; Mathematics; Matematik;

   Sammanfattning : This thesis contains four articles related to mathematical aspects of Density Functional Theory.In Paper A, the theoretical justification of density methods formulated with current densities is addressed. It is shown that the set of ground-states is determined by the ensemble-representable particle and paramagnetic current density. LÄS MER