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M. Brack

Publications and source records attributed to M. Brack.

At least 37 records · Page 2Linked to original sources
arXiv2002

Analytical perturbative approach to periodic orbits in the homogeneous quartic oscillator potential

We present an analytical calculation of periodic orbits in the homogeneous quartic oscillator potential. Exploiting the properties of the periodic Lam{é} functions that describe the orbits bifurcated from the fundamental linear orbit in the vicinity of the bifurcation points, we use perturbation theory to obtain their evolution away from the bifurcation points. As an application, we derive an analytical semiclassical trace formula for the density of states in the separable case, using a uniform approximation for the pitchfork bifurcations occurring there, which allows for full semiclassical quantization. For the non-integrable situations, we show that the uniform contribution of the bifurcating period-one orbits to the coarse-grained density of states competes with that of the shortest isolated orbits, but decreases with increasing chaoticity parameter $α$.

nlin.CD↗
arXiv2002

Semiclassical theory of spin-orbit interactions using spin coherent states

We formulate a semiclassical theory for systems with spin-orbit interactions. Using spin coherent states, we start from the path integral in an extended phase space, formulate the classical dynamics of the coupled orbital and spin degrees of freedom, and calculate the ingredients of Gutzwiller's trace formula for the density of states. For a two-dimensional quantum dot with a spin-orbit interaction of Rashba type, we obtain satisfactory agreement with fully quantum-mechanical calculations. The mode-conversion problem, which arose in an earlier semiclassical approach, has hereby been overcome.

nlin.CD↗
arXiv2002

Semiclassical trace formulae for systems with spin-orbit interactions: successes and limitations of present approaches

We discuss the semiclassical approaches for describing systems with spin-orbit interactions by Littlejohn and Flynn (1991, 1992), Frisk and Guhr (1993), and by Bolte and Keppeler (1998, 1999). We use these methods to derive trace formulae for several two- and three-dimensional model systems, and exhibit their successes and limitations. We discuss, in particular, also the mode conversion problem that arises in the strong-coupling limit.

nlin.CD↗
arXiv2002

Semiclassical analysis of the lowest-order multipole deformations of simple metal clusters

We use a perturbative semiclassical trace formula to calculate the three lowest-order multipole (quadrupole $\eps_2$, octupole $\eps_3$, and hexadecapole $\eps_4$) deformations of simple metal clusters with $90 \le N \le 550$ atoms in their ground states. The self-consistent mean field of the valence electrons is modeled by an axially deformed cavity and the oscillating part of the total energy is calculated semiclassically using the shortest periodic orbits. The average energy is obtained from a liquid-drop model adjusted to the empirical bulk and surface properties of the sodium metal. We obtain good qualitative agreement with the results of quantum-mechanical calculations using Strutinsky's shell-correction method.

physics.atm-clus↗
arXiv2001

Occurrence of periodic Lamé functions at bifurcations in chaotic Hamiltonian systems

We investigate cascades of isochronous pitchfork bifurcations of straight-line librating orbits in some two-dimensional Hamiltonian systems with mixed phase space. We show that the new bifurcated orbits, which are responsible for the onset of chaos, are given analytically by the periodic solutions of the Lamé equation as classified in 1940 by Ince. In Hamiltonians with C_${2v}$ symmetry, they occur alternatingly as Lamé functions of period 2K and 4K, respectively, where 4K is the period of the Jacobi elliptic function appearing in the Lamé equation. We also show that the two pairs of orbits created at period-doubling bifurcations of touch-and-go type are given by two different linear combinations of algebraic Lamé functions with period 8K.

nlin.CD↗
arXiv2001

Quantum fluid-dynamics from density functional theory

A partial differential eigenvalue equation for the density displacement fields associated with electronic excitations is derived in the framework of density functional theory. Our quantum fluid-dynamical approach is based on a variational principle and the Kohn-Sham ground-state energy functional, using only the occupied Kohn-Sham orbitals. It allows for an intuitive interpretation of electronic excitations in terms of intrinsic local currents that obey a continuity equation. We demonstrate the capabilities of this non-empirical approach by calculating the photoabsorption spectra of small sodium clusters. The quantitative agreement between theoretical and experimental spectra shows that even for the smallest clusters, the resonances observed experimentally at low temperatures can be interpreted in terms of density vibrations.

physics.atm-clus↗
arXiv2001

Periodic-Orbit Bifurcations and Superdeformed Shell Structure

We have derived a semiclassical trace formula for the level density of the three-dimensional spheroidal cavity. To overcome the divergences occurring at bifurcations and in the spherical limit, the trace integrals over the action-angle variables were performed using an improved stationary phase method. The resulting semiclassical level density oscillations and shell-correction energies are in good agreement with quantum-mechanical results. We find that the bifurcations of some dominant short periodic orbits lead to an enhancement of the shell structure for "superdeformed" shapes related to those known from atomic nuclei.

nlin.SI↗
arXiv2000

Semiclassical Calculation of Shell Effects in Deformed Nuclei

We summarize recent work in which the shell effect, which causes the onset of the mass asymmetry in nuclear fission, could be explained semiclassically in the framework of the periodic orbit theory. We also present new results for the inclusion of a spin-orbit interaction in the semiclassical calculation of the level density.

nucl-th↗
arXiv2000

Wavefunction localization and its semiclassical description in a 3-dimensional system with mixed classical dynamics

We discuss the localization of wavefunctions along planes containing the shortest periodic orbits in a three-dimensional billiard system with axial symmetry. This model mimicks the self-consistent mean field of a heavy nucleus at deformations that occur characteristically during the fission process [1,2]. Many actinide nuclei become unstable against left-right asymmetric deformations, which results in asymmetric fragment mass distributions. Recently we have shown [3,4] that the onset of this asymmetry can be explained in the semiclassical periodic orbit theory by a few short periodic orbits lying in planes perpendicular to the symmetry axis. Presently we show that these orbits are surrounded by small islands of stability in an otherwise chaotic phase space, and that the wavefunctions of the diabatic quantum states that are most sensitive to the left-right asymmetry have their extrema in the same planes. An EBK quantization of the classical motion near these planes reproduces the exact eigenenergies of the diabatic quantum states surprisingly well.

nlin.CD↗
arXiv2000

Ionic and electronic structure of sodium clusters up to N=59

We determined the ionic and electronic structure of sodium clusters with even electron numbers and 2 to 59 atoms in axially averaged and three-dimensional density functional calculations. A local, phenomenological pseudopotential that reproduces important bulk and atomic properties and facilitates structure calculations has been developed. Photoabsorption spectra have been calculated for $\mathrm{Na}_2$, $\mathrm{Na}_8$, and $\mathrm{Na}_9^+$ to $\mathrm{Na}_{59}^+$. The consistent inclusion of ionic structure considerably improves agreement with experiment. An icosahedral growth pattern is observed for $\mathrm{Na}_{19}^+$ to $\mathrm{Na}_{59}^+$. This finding is supported by photoabsorption data.

physics.atm-clus↗
arXiv1999

Static Electric Dipole Polarizabilities of Na Clusters

The static electric dipole polarizability of $\mathrm{Na_N}$ clusters with even N has been calculated in a collective, axially averaged and a three-dimensional, finite-field approach for $2\le N \le 20$, including the ionic structure of the clusters. The validity of a collective model for the static response of small systems is demonstrated. Our density functional calculations verify the trends and fine structure seen in a recent experiment. A pseudopotential that reproduces the experimental bulk bond length and atomic energy levels leads to a substantial increase in the calculated polarizabilities, in better agreement with experiment. We relate remaining differences in the magnitude of the theoretical and experimental polarizabilities to the finite temperature present in the experiments.

physics.atm-clus↗
arXiv1999

Classical orbit bifurcation and quantum interference in mesoscopic magnetoconductance

We study the magnetoconductance of electrons through a mesoscopic channel with antidots. Through quantum interference effects, the conductance maxima as functions of the magnetic field strength and the antidot radius (regulated by the applied gate voltage) exhibit characteristic dislocations that have been observed experimentally. Using the semiclassical periodic orbit theory, we relate these dislocations directly to bifurcations of the leading classes of periodic orbits.

cond-mat.mes-hall↗
arXiv1999

Symmetry Breaking and Bifurcations in the Periodic Orbit Theory: I: Elliptic Billiard

We derive an analytical trace formula for the level density of the two-dimensional elliptic billiard using an improved stationary phase method. The result is a continuous function of the deformation parameter (eccentricity) through all bifurcation points of the short diameter orbit and its repetitions, and possesses the correct limit of the circular billiard at zero eccentricity. Away from the circular limit and the bifurcations, it reduces to the usual (extended) Gutzwiller trace formula which for the leading-order families of periodic orbits is identical to the result of Berry and Tabor. We show that the circular disk limit of the diameter-orbit contribution is also reached through contributions from closed (periodic and non-periodic) orbits of hyperbolic type with an even number of reflections from the boundary. We obtain the Maslov indices depending on deformation and energy in terms of the phases of the complex error and Airy functions. We find enhancement of the amplitudes near the common bifurcation points of both short-diameter and hyperbolic orbits. The calculated semiclassical level densities and shell energies are in good agreement with the quantum mechanical ones.

nucl-th↗
arXiv1998

Uniform trace formulae for SU(2) and SO(3) symmetry breaking

We develop uniform approximations for the trace formula for non-integrable systems in which SU(2) symmetry is broken by a non-linear term of the Hamiltonian. As specific examples, we investigate Hénon-Heiles type potentials. Our formalism can also be applied to the breaking of SO(3) symmetry in a three-dimensional cavity with axially-symmetric quadrupole deformation.

chao-dyn↗
arXiv1998

The Weyl Series and the Trace formula: can we add them?

Periodic orbit expressions for the density of states lead to spurious results when directly used to calculate quantities of thermodynamic interest. This is because the trace formula is usually valid only for large energies while the calculations make use of it at all energies. We present a prescription for circumventing this problem by isolating contributions which arise from the inaccurate low-energy behavior, and are spurious, from other subdominant contributions which are physical and are not contained in the Weyl series. The method is tested by analyzing the fermionic grand partition function for a disk billiard and may readily be extended to other dynamical systems.

chao-dyn↗
arXiv1998

Ionic structure and photoabsorption in medium sized sodium clusters

We present ground-state configurations and photoabsorption spectra of Na-7+, Na-27+ and Na-41+. Both the ionic structure and the photoabsorption spectra of medium-size sodium clusters beyond Na-20 have been calculated self-consistently with a nonspherical treatment of the valence electrons in density functional theory. We use a local pseudopotential that has been adjusted to experimental bulk properties and the atomic 3s level of sodium. Our studies have shown that both the ionic structure of the ground state and the positions of the plasmon resonances depend sensitively on the pseudopotential used in the calculation, which stresses the importance of its consistent use in both steps.

physics.atm-clus↗
arXiv1997

Periodic Orbit Theory of the circular billiard in homogeneous magnetic fields

We present a semiclassical description of the level density of a two-dimensional circular quantum dot in a homogeneous magnetic field. We model the total potential (including electron-electron interaction) of the dot containing many electrons by a circular billiard, i.e., a hard-wall potential. Using the extended approach of the Gutzwiller theory developed by Creagh and Littlejohn, we derive an analytic semiclassical trace formula. For its numerical evaluation we use a generalization of the common Gaussian smoothing technique. In strong fields orbit bifurcations, boundary effects (grazing orbits) and diffractive effects (creeping orbits) come into play, and the comparison with the exact quantum mechanical result shows major deviations. We show that the dominant corrections stem from grazing orbits, the other effects being much less important. We implement the boundary effects, replacing the Maslov index by a quantum-mechanical reflection phase, and obtain a good agreement between the semiclassical and the quantum result for all field strengths. With this description, we are able to explain the main features of the gross-shell structure in terms of just one or two classical periodic orbits.

cond-mat.mes-hall↗