7 resultados para Functional Approach

em Diposit Digital de la UB - Universidade de Barcelona


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Within current-density-functional theory, we have studied a quantum dot made of 210 electrons confined in a disk geometry. The ground state of this large dot exhibits some features as a function of the magnetic field (Beta) that can be attributed in a clear way to the formation of compressible and incompressible states of the system. The orbital and spin angular momenta, the total energy, ionization and electron chemical potentials of the ground state, as well as the frequencies of far-infrared edge modes are calculated as a function of Beta, and compared with available experimental and theoretical results.

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Bubble formation in solutions of 3He and 4He is studied within a density-functional approach. In particular, the temperature dependence of the cavitation pressure for different 3He concentrations is calculated at low temperatures and compared to that of pure 4He. The presence of Andreev states lowers the surface tension and, consequently, nucleation barriers are drastically reduced. This fact means that even at low 3He concentrations the cavitation process takes place at higher pressures than the spinodal pressure, which is not the case for pure 4He.

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Depending on the 3He concentration, thermal nucleation in 3-4He supersaturated liquid mixtures at negative pressures may be originated either by bubble or by 3rich drop formation. We have investigated this phenomenon within a density-functional approach, determining the regions in the pressure¿3He-concentration plane where bubbles or drops likely drive the nucleation process. As an illustrative example, we also give the homogeneous nucleation pressure corresponding to 50 and 100 mK temperature.

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A theoretical density-functional study has been carried out to analyze the exchange coupling in the chains of CuGeO3 using discrete models. The results show a good agreement with the experimental exchange coupling constant (J) together with a strong dependence of J with the Cu-O-Cu angle. The calculation of the J values for a distorted model indicates a larger degree of dimerization than those reported previously.

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The recently developed variational Wigner-Kirkwood approach is extended to the relativistic mean field theory for finite nuclei. A numerical application to the calculation of the surface energy coefficient in semi-infinite nuclear matter is presented. The new method is contrasted with the standard density functional theory and the fully quantal approach.

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In this paper we propose a generalization of the density functional theory. The theory leads to single-particle equations of motion with a quasilocal mean-field operator, which contains a quasiparticle position-dependent effective mass and a spin-orbit potential. The energy density functional is constructed using the extended Thomas-Fermi approximation and the ground-state properties of doubly magic nuclei are considered within the framework of this approach. Calculations were performed using the finite-range Gogny D1S forces and the results are compared with the exact Hartree-Fock calculations

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We explore the ability of the recently established quasilocal density functional theory for describing the isoscalar giant monopole resonance. Within this theory we use the scaling approach and perform constrained calculations for obtaining the cubic and inverse energy weighted moments (sum rules) of the RPA strength. The meaning of the sum rule approach in this case is discussed. Numerical calculations are carried out using Gogny forces and an excellent agreement is found with HF+RPA results previously reported in literature. The nuclear matter compression modulus predicted in our model lies in the range 210230 MeV which agrees with earlier findings. The information provided by the sum rule approach in the case of nuclei near the neutron drip line is also discussed.