Quantum Resonances and Regularity Islands in Quantum Maps

We study analytically as well as numerically the dynamics of a quantum map near a quantum resonance of an order q. The map is embedded into a continuous unitary transformation generated by a time-independent quasi-Hamiltonian. Such a Hamiltonian generates at the very point of the resonance a local gauge transformation described the unitary unimodular group SU(q). The resonant energy growth of is attributed to the zero Liouville eigenmodes of the generator in the adjoint representation of the group while the non-zero modes yield saturating with time contribution. In a vicinity of a given resonance, the quasi-Hamiltonian is then found in the form of power expansion with respect to the detuning from the resonance. The problem is related in this way to the motion along a circle in a (q^2-1)-component inhomogeneous "magnetic" field of a quantum particle with $q$ intrinsic degrees of freedom described by the SU(q) group. This motion is in parallel with the classical phase oscillations near a non-linear resonance. The most important role is played by the resonances with the orders much smaller than the typical localization length, q << l. Such resonances master for exponentially long though finite times the motion in some domains around them. Explicit analytical solution is possible for a few lowest and strongest resonances.Comment: 28 pages (LaTeX), 11 ps figures, submitted to PR

Nonlocal density functionals and the linear response of the homogeneous electron gas

The known and usable truly nonlocal functionals for exchange-correlation energy of the inhomogeneous electron gas are the ADA (average density approximation) and the WDA (weighted density approximation). ADA, by design, yields the correct linear response function of the uniform electron gas. WDA is constructed so that it is exact in the limit of one-electron systems. We derive an expression for the linear response of the uniform gas in the WDA, and calculate it for several flavors of WDA. We then compare the results with the Monte-Carlo data on the exchange-correlation local field correction, and identify the weak points of conventional WDA in the homogeneous limit. We suggest how the WDA can be modified to improve the response function. The resulting approximation is a good one in both opposite limits, and should be useful for practical nonlocal density functional calculations.Comment: 4 pages, two eps figures embedde

Solutions of the dispersion equation in the region of overlapping of zero-sound and particle-hole modes

In this paper the solutions of the zero-sound dispersion equation in the random phase approximation (RPA) are considered. The calculation of the damped zero-sound modes \omega_s(k) (complex frequency of excitation) in the nuclear matter is presented. The method is based on the analytical structure of the polarization operators \Pi(\omega,k). The solutions of two dispersion equations with \Pi(\omega,k) and with Re(\Pi(\omega,k)) are compared. It is shown that in the first case we obtain one-valued smooth solutions without "thumb-like" forms. Considering the giant resonances in the nuclei as zero-sound excitations we compare the experimental energy and escape width of the giant dipole resonance (GDR) in the nucleus A with \omega_s(k) taken at a definite wave vector k=k_A.Comment: 14 pages, 5 figures; revised versio

Quantum Resonances of Kicked Rotor and SU(q) group

The quantum kicked rotor (QKR) map is embedded into a continuous unitary transformation generated by a time-independent quasi-Hamiltonian. In some vicinity of a quantum resonance of order $q$, we relate the problem to the {\it regular} motion along a circle in a $(q^2-1)$-component inhomogeneous "magnetic" field of a quantum particle with $q$ intrinsic degrees of freedom described by the $SU(q)$ group. This motion is in parallel with the classical phase oscillations near a non-linear resonance.Comment: RevTeX, 4 pages, 3 figure

Action scales for quantum decoherence and their relation to structures in phase space

A characteristic action $\Delta S$ is defined whose magnitude determines some properties of the expectation value of a general quantum displacement operator. These properties are related to the capability of a given environmental `monitoring' system to induce decoherence in quantum systems coupled to it. We show that the scale for effective decoherence is given by $\Delta S\approx\hbar$. We relate this characteristic action with a complementary quantity, $\Delta Z$, and analyse their connection with the main features of the pattern of structures developed by the environmental state in different phase space representations. The relevance of the $\Delta S$-action scale is illustrated using both a model quantum system solved numerically and a set of model quantum systems for which analytical expressions for the time-averaged expectation value of the displacement operator are obtained explicitly.Comment: 12 pages, 3 figure

A dissymmetric [Gd2] coordination molecular dimer hosting six addressable spin qubits

Artificial magnetic molecules can host several spin qubits, which could then implement small-scale algorithms. In order to become of practical use, such molecular spin processors need to increase the available computational space and warrant universal operations. Here, we design, synthesize and fully characterize dissymetric molecular dimers hosting either one or two Gadolinium(III) ions. The strong sensitivity of Gadolinium magnetic anisotropy to its local coordination gives rise to different zero-field splittings at each metal site. As a result, the [LaGd] and [GdLu] complexes provide realizations of distinct spin qudits with eight unequally spaced levels. In the [Gd2] dimer, these properties are combined with a Gd-Gd magnetic interaction, sufficiently strong to lift all level degeneracies, yet sufficiently weak to keep all levels within an experimentally accessible energy window. The spin Hamiltonian of this dimer allows a complete set of operations to act as a 64-dimensional all-electron spin qudit, or, equivalently, as six addressable qubits. Electron paramagnetic resonance experiments show that resonant transitions between different spin states can be coherently controlled, with coherence times TM of the order of 1 µs limited by hyperfine interactions. Coordination complexes with embedded quantum functionalities are promising building blocks for quantum computation and simulation hybrid platforms

Hierarchy of QM SUSYs on a Bounded Domain

We systematically formulate a hierarchy of isospectral Hamiltonians in one-dimensional supersymmetric quantum mechanics on an interval and on a circle, in which two successive Hamiltonians form N=2 supersymmetry. We find that boundary conditions compatible with supersymmetry are severely restricted. In the case of an interval, a hierarchy of, at most, three isospectral Hamiltonians is possible with unique boundary conditions, while in the case of a circle an infinite tower of isospectral Hamiltonians can be constructed with two-parameter family of boundary conditions.Comment: 15 pages, 3 figure

Heat conduction in one dimensional systems: Fourier law, chaos, and heat control

In this paper we give a brief review of the relation between microscopic dynamical properties and the Fourier law of heat conduction as well as the connection between anomalous conduction and anomalous diffusion. We then discuss the possibility to control the heat flow.Comment: 15 pages, 11 figures. To be published in the Proceedings of the NATO Advanced Research Workshop on Nonlinear Dynamics and Fundamental Interactions, Tashkent, Uzbekistan, Octo. 11-16, 200

Arbitrary Choice of Basic Variables in Density Functional Theory. II. Illustrative Applications

Our recent theory (Ref. 1) enables us to choose arbitrary quantities as the basic variables of the density functional theory. In this paper we apply it to several cases. In the case where the occupation matrix of localized orbitals is chosen as a basic variable, we can obtain the single-particle equation which is equivalent to that of the LDA+U method. The theory also leads to the Hartree-Fock-Kohn-Sham equation by letting the exchange energy be a basic variable. Furthermore, if the quantity associated with the density of states near the Fermi level is chosen as a basic variable, the resulting single-particle equation includes the additional potential which could mainly modify the energy-band structures near the Fermi level.Comment: 27 page

Impurity effects on the melting of Ni clusters

We demonstrate that the addition of a single carbon impurity leads to significant changes in the thermodynamic properties of Ni clusters consisting of more than a hundred atoms. The magnitude of the change induced is dependent upon the parameters of the Ni-C interaction. Hence, thermodynamic properties of Ni clusters can be effectively tuned by the addition of an impurity of a particular type. We also show that the presence of a carbon impurity considerably changes the mobility and diffusion of atoms in the Ni cluster at temperatures close to its melting point. The calculated diffusion coefficients of the carbon impurity in the Ni cluster can be used for a reliable estimate of the growth rate of carbon nanotubes.Comment: 27 pages, 13 figure