Search results for " approximation"
showing 10 items of 575 documents
Scattering from concentration fluctuations in polymer blends: A monte carlo investigation
1989
The collective scattering function Scoll( $$\vec q$$ ), which describes light (neutron-, x-ray) scattering under wavevector $$\vec q$$ , is obtained from Monte Carlo simulations for a symmetrical polymer mixture. The polymers are modelled by self-avoiding walks ofN A=NB=N steps on a simple cubic lattice, where a fractionφ V of sites is left vacant, and an attractive energye occurs if two neighboring sites are taken by the same kind of monomer. Spinodal curves are estimated from linear extrapolation of S coll −1 (0) vs.e/k B T, whereT is the temperature. Also the single chain structure factor is obtained and the de Gennes random phase approximation (RPA) can thus be tested. Unexpectedly, str…
Correlation effects in bistability at the nanoscale: Steady state and beyond
2012
The possibility of finding multistability in the density and current of an interacting nanoscale junction coupled to semi-infinite leads is studied at various levels of approximation. The system is driven out of equilibrium by an external bias and the nonequilibrium properties are determined by real-time propagation using both time-dependent density functional theory (TDDFT) and many-body perturbation theory (MBPT). In TDDFT the exchange-correlation effects are described within a recently proposed adiabatic local density approximation (ALDA). In MBPT the electron-electron interaction is incorporated in a many-body self-energy which is then approximated at the Hartree-Fock (HF), second-Born,…
Density Functional Theory of Multicomponent Quantum Dots
2004
Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different types of fermions with isotropic effective masses. The density functional method with the local density approximation is used. The increased number of internal (Kohn-Sham) states leads to a generalisation of Hund's first rule at high densities. At low densitites the formation of Wigner molecules is favored by the increased internal freedom.
Density gradients for the exchange energy of electrons in two dimensions
2009
We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations has a long and successful history, but it has not yet been fully investigated for electrons in two dimensions. We follow the approach originally proposed by Becke for three-dimensional systems [Int. J. Quantum Chem. 23, 1915 (1983), J. Chem. Phys. 85, 7184 (1986)]. The resulting functional depends on two parameters that are adjusted to a test set of parabolically confined quantum dots. Our exchange functional is then tested on a variety of systems with promising results, reducing the error in the exchange energy b…
The average over a sphere
1980
Abstract The N points ri and the N segments ΔΩi of the unit sphere used in the numerical approximation of the average over the sphere are optimized to approximate the average of the set of spherical harmonics {;Yl,m;l = 0, 1, 2, …, L}; up to L = 18. The symmetry of f( r ) can be taken into acount by using only a distinct subquantity of the N point {; r i , ΔΩ i }; . Sets for N = 48n (n = 1, 2, …, 6) are tabulated. The advantage of the method is shown by the calculation of a powder Mossbauer spectrum including electric and magnetic hyperfine interactions.
Spiral conical approximations to double reflection Wolter optics
2008
The design of a grazing incidence focusing optic obtained from a spiral approximation to multiple nested cones produces an annular image of a point source. The angular size of the annulus depends mainly on the pitch of the winding and the focal length. For a spiral conical approximation to Wolter optics, the effect is magnified by the double reflection. However, if the two conical spirals are wound one clock-wise and the other counter-clock-wise, then the aberration is partially compensated. We use a ray tracing code to evaluate advantages and disadvantages of this optical design for potential applications of a light weight optics technology based on plastic foils that we are currently inve…
Linear response of homogeneous nuclear matter with energy density functionals
2014
Response functions of infinite nuclear matter with arbitrary isospin asymmetry are studied in the framework of the random phase approximation. The residual interaction is derived from a general nuclear Skyrme energy density functional. Besides the usual central, spin-orbit and tensor terms it could also include other components as new density-dependent terms or three-body terms. Algebraic expressions for the response functions are obtained from the Bethe-Salpeter equation for the particle-hole propagator. Applications to symmetric nuclear matter, pure neutron matter and asymmetric nuclear matter are presented and discussed. Spin-isospin strength functions are analyzed for varying conditions…
Scaling the abruptly autofocusing beams in the direct-space
2017
International audience; We propose a simple technique to scale the abruptly autofocusing beams in the direct space by introducing a scaling factor in the phase. Analytical formulas are deduced based on optical caustics, explicitly revealing how the scaling factor controls location, peak intensity, and size of the focal spot. We demonstrate that the multiplication of a scaling factor on the phase is equivalent to the axial-scaling transformation under the paraxial approximation. Further numerical and experimental results confirm theoretical predictions. In addition, amplitude modulation using phase-only holograms is used to maintain the peak intensity level of the focal spots.
Cluster-transfer reactions with radioactive beams: A spectroscopic tool for neutron-rich nuclei
2015
An exploratory experiment performed at REX-ISOLDE to investigate cluster-transfer reactions with radioactive beams in inverse kinematics is presented. The aim of the experiment was to test the potential of cluster-transfer reactions at the Coulomb barrier as a mechanism to explore the structure of exotic neutron-rich nuclei. The reactions Li7(Rb98,αxn) and Li7(Rb98,txn) were studied through particle-γ coincidence measurements, and the results are presented in terms of the observed excitation energies and spins. Moreover, the reaction mechanism is qualitatively discussed as a transfer of a clusterlike particle within a distorted-wave Born approximation framework. The results indicate that cl…
Exact Solutions of the Two Dimensional Boussinesq and Dispersive Water Waves Equations
2010
In this paper two-dimensional Boussinesq and dispersive water waves equations are investigated in exact solutions. The Exp-function method is used for seeking exact solutions of the equations through symbolic computation.