Search for dissertations about: "A. Kohn"

Showing result 6 - 10 of 30 swedish dissertations containing the words A. Kohn.

  2. 6. Lattice dynamics : From fundamental research to practical applications

    Author : Johan Tidholm; Igor A. Abrikosov; Olle Hellman; Ferenc Tasnadi; Gerd Steinle-Neumann; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : The reason to perform calculations in material science usually falls into one of two categories: to predict or explain the origin of material properties. This thesis covers first-principle calculations for solids at extreme conditions, from both of the two mentioned categories. READ MORE

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

    Author : Andre Laestadius; Michael Benedicks; Trygve Helgaker; KTH; []
    Keywords : 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;

    Abstract : 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. READ MORE

  5. 8. A new generation density functional towards chemical accuracy

    Author : Zhang Ying; Luo Yi; Head-Gordon Martin; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Bioengineering; Bioteknik;

    Abstract : Density functional theory (DFT) has become the leading method in calculating theelectronic structures and properties from first principles. In practical applicationsof DFT in the frame work of Kohn-Sham (KS) method, an approximate exchange-correlation functional has to be chosen. READ MORE

  6. 9. Topics in Nonlinear Elliptic Differential Equations

    Author : Shoyeb Waliullah; Andrzej Szulkin; Thomas Bartsch; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Concentration-compactness principle; critical Sobolev exponent; symmetric solutions of elliptic equations; degenerate elliptic equation; Nehari manifold; Caffarelli-Kohn-Nirenberg inequality; infinitely many solutions; MATHEMATICS; MATEMATIK; Mathematics; matematik;

    Abstract : In this thesis we examine the existence of solutions to nonlinear elliptic partial differential equations via variational methods.In Paper I we consider the existence of constrained minimizers which correspond to solutions of equations involving the iterated Laplacian, the iterated p-Laplacian and the critical Sobolev exponent. READ MORE

  7. 10. Gaps, Traps and Lattices - Correlations in Small Quantum Systems

    Author : Magnus Borgh; Matematisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; magnetiska och optiska ; egenskaper elektriska; Cold atoms; Quantum dots; Optical lattices; classical mechanics; Mathematical and general theoretical physics; Exact diagonalization; Density Functional Theory; Vortices; relativity; quantum mechanics; termodynamik; statistisk fysik; relativitet; kvantmekanik; klassisk mekanik; Matematisk och allmän teoretisk fysik; thermodynamics; statistical physics; Condensed matter:electronic structure; gravitation; supraledare; magnetisk resonans; electrical; magnetic and optical properties; supraconductors; magnetic resonance; relaxation; spectroscopy; Kondenserade materiens egenskaper:elektronstruktur; spektroskopi; Fysicumarkivet A:2007:Borgh;

    Abstract : This dissertation investigates properties of two-dimensional many-body systems. Studies are performed using the Spin-Density Functional Theory with the Local Spin-Density Approximation, and numerical exact diagonalization. READ MORE