On the Hamiltonian interpolation of near-to-the identity symplectic mappings with application to symplectic integration algorithms

We reconsider the problem of the Hamiltonian interpolation of symplectic mappings. Following Moser's scheme, we prove that for any mapping , analytic and -close to the identity, there exists an analytic autonomous Hamiltonian system, H such that its time-one mapping _H differs from by a quantity exponentially small in 1/. This result is applied, in particular, to the problem of numerical integration of Hamiltonian systems by symplectic algorithms; it turns out that, when using an analytic symplectic algorithm of orders to integrate a Hamiltonian systemK, one actually follows exactly, namely within the computer roundoff error, the trajectories of the interpolating Hamiltonian H, or equivalently of the rescaled Hamiltonian K=^-1H, which differs fromK, but turns out to be ⁵ close to it. Special attention is devoted to numerical integration for scattering problems.     

Fine Structures of the Permittivity and Characteristic Losses of Electrons in Fluorite

Experimental-computational spectra of the permittivity and characteristic losses –Im^–1 for energies in the range 5–21 eV at a temperature of 4.2 K and theoretical spectra of and –Im^–1 of a fluorite crystal are resolved into elementary transition bands. The parameters of transition bands (energies of their maxima E _i, band halfwidths H _i and areas S _i, and oscillator forces f _i) are determined. A correlation of the spectral bands of and –Im^–1is established, and their specific features are elucidated.     

Unmixing of binary alloys by a vacancy mechanism of diffusion: a computer simulation

The initial stages of phase separation are studied for a model binary alloy (AB) with pairwise interactions _AA , _AB , _BB between nearest neighbors, assuming that there is no direct interchange of neighboring atoms possible, but only an indirect one mediated by vacancies (V) occurring in the system at a concentrationc _v and which are strictly conserved, as are the concentrationsc _A andc _B of the two species.A-atoms may jump to vacant sites with jump rate _A , B-atoms with jump rate _B (in the absence of interactions). Particular attention is paid to the question to what extent nonuniform distribution of vacancies affects the unmixing kinetics. Our study focuses on the special case _A = _B on a square lattice, considering three different choices of interactions with the same = _AB – ( _AA + _BB )/2: (i) _AB =, _AA = _BB = 0; (ii) _AA = 0, _AA = _BB ; = ; (iii) _AB = _BB = 0, _AA = –2. We obtain both the time evolution of the structure factorS(k,t) following a quench from infinite temperature to the considered temperature, and the timedependence of the mean cluster size and the various neighborhood probabilities of a vacancy. While in case (i) forc _V 0.16 the distribution of vacancies in the system stays nearly random, in case (ii) the vacancies cluster in theA-B interfacial region, and in case (iii) they get nearly completely expelled from theA-rich regions. While phase separation proceeds in case (i) only slightly faster than in case (ii), a significant slowing down of the relaxation is observed for case (iii), which shows up in a strong reduction of the effective exponents describing the growth.     

Power law growth for the resistance in the Fibonacci model

Many one-dimensional quasiperiodic systems based on the Fibonacci rule, such as the tight-binding HamiltonianH(n)=(n+1)+(n–1)+v(n) (n),n,l ²(),, wherev(n)=[(n+1)]–[n],[x] denoting the integer part ofx and the golden mean , give rise to the same recursion relation for the transfer matrices. It is proved that the wave functions and the norm of transfer matrices are polynomially bounded (critical regime) if and only if the energy is in the spectrum of the Hamiltonian. This solves a conjecture of Kohmoto and Sutherland on the power-law growth of the resistance in a one-dimensional quasicrystal.     

On the integrated density of states for crystals with randomly distributed impurities

In the present paper, we discuss spectral properties of a periodic Schrödinger operator which is perturbed by randomly distributed impurities; such operators occur as simple models for crystals (or semi-conductors) with impurities. While the spectrum itself is independent of the concentrationp of impurities, for 0<p<1, we focus our attention on the limiting behavior of the integrated density of states _p of the random Schrödinger operator, inside a spectral gap of the periodic operator, asp0. Denoting byU ₀ the set of eigenvalues (in the gap) of the reference problem having precisely one impurity (located at the origin, say), we show that the integrated density of states concentrates around the points ofU ₀, in the sense that _p (U ) is of orderp, for any fixed -neighborhoodU ofU ₀, while _p (K)C·p ², for any compact subsetK of the gap which does not intersectU .Research partially supported by Deutsche Forschungsgemeinschaft     

The Migdal-Kadanoff renormalization group scheme for the Ising model with a free surface

The Migdal-Kadanoff scheme is applied to the Ising model with a free surface. The resulting renormalization group transformation and the duality transformation commute in any dimension. Two simple recursion relations are obtained which reproduce the global phase diagram for the semi-infinite Ising model. The surface critical exponents space methods. In dimensiond=2+, we find the exponentsy t ₁ ^(SB)= andy h ₁ ^(SB)=1+ for the multicritical surface-bulk transition. We also derive and discuss approximate differential recursion relations for the bulk and the surface free energies.     

TM-polarized nonlinear waves guided by asymmetric dielectric layered structures

We found the field structure, exact dispersion relations and power flow ofp-polarized nonlinear guided and surface waves travelling along a three-component layered structure consisting of a film of thicknessd with dielectric constant _b bounded at the negativez-side by a linear medium with dielectric constant _a and at the positivez-side by a nonlinear uniaxial substrate characterized by the diagonal dielectric tensor ₁₁ = ₂₂ = + (|E ₁|² + |E ₂|²), ₃₃ = , <0 (self-defocusing medium),E ₁ andE ₂ being the components of the electric field in thex andy-direction, respectively. It is shown that for sufficiently smalld/ (: wavelength) the nonlinear wave may exist only at power flows exceeding some certain minimum values. For sufficiently larged/ to some values of the power flow there correspond two distinct values of the propagation constant. In this case with increasing of the power flow the number of waveguide modes is decreasing and for higher-order modes the film-waveguide exhibits an optical-power limiter from the above behaviour.     

s-Polarized nonlinear surface polaritons

An exact solution of Maxwell's equations is found, corresponding to ans-polarized nonlinear surface polarition, at the planar interface between two dielectric media, one of which is optically unaxial and is characterized by a diagonal dielectric tensor whose elements depend on the amplitude of the electric field according to ₁₁=₂₂=₀()+a() (|E ₁|²+|E ₂|²), ₃₃=(). Such modes have no counterpart in the corresponding linear system.     

Statistical mechanics of polymer networks of any topology

The statistical mechanics is considered of any polymer network with a prescribed topology, in dimensiond, which was introduced previously. The basic direct renormalization theory of the associated continuum model is established. It has a very simple multiplicative structure in terms of the partition functions of the star polymers constituting the vertices of the network. A calculation is made toO(²), whered=4–, of the basic critical dimensions _L associated with anyL-leg vertex (L1). From this infinite series of critical exponents, any topology-dependent critical exponent can be derived. This is applied to the configuration exponent _G of any networkG toO(²), includingL-leg star polymers. The infinite sets of contact critical exponents between multiple points of polymers or between the cores of several star polymers are also deduced. As a particular case, the three exponents ₀, ₁, ₂ calculated by des Cloizeaux by field-theoretic methods are recovered. The limiting exact logarithmic laws are derived at the upper critical dimensiond=4. The results are generalized to the series of topological exponents of polymer networks near a surface and of tricritical polymers at the-point. Intersection properties of networks of random walks can be studied similarly. The above factorization theory of the partition function of any polymer network over its constitutingL-vertices also applies to two dimensions, where it can be related to conformal invariance. The basic critical exponents _L and thus any topological polymer exponents are then exactly known. Principal results published elsewhere are recalled.     

Electron Transitions of Cadmium Oxide

The bands, densities of states, and spectrum of the permittivity ₂ of a CdO crystal have been calculated by the FP–LMTO method. The ₂, ₁, –Im ^–1, and Re ^–1 spectra for the CdO crystal in the range 1–30 eV have been obtained on the basis of the experimental spectrum of reflection. The spectra were decomposed into elementary components and their main parameters were calculated. The obtained spectrum of the transverse components was compared with the theoretical spectrum of ₂.     

Effective Potential for \mathcal{P}\mathcal{T}-Symmetric Quantum Field Theories

Recently, a class of -invariant scalar quantum field theories described by the non-Hermitian Lagrangian = () ² +g ² (i) was studied. It was found that there are two regions of . For <0 the -invariance of the Lagrangian is spontaneously broken, and as a consequence, all but the lowest-lying energy levels are complex. For 0 the -invariance of the Lagrangian is unbroken, and the entire energy spectrum is real and positive. The subtle transition at =0 is not well understood. In this paper we initiate an investigation of this transition by carrying out a detailed numerical study of the effective potential V _eff (_c) in zero-dimensional spacetime. Although this numerical work reveals some differences between the <0 and the >0 regimes, we cannot yet see convincing evidence of the transition at =0 in the structure of the effective potential for -symmetric quantum field theories.     

Ground state properties of the two-band Anderson-type model in one dimension

We study the ground states of the one-dimensional two-band Anderson type model in both the symmetric and the asymmetric cases. In the symmetric case the analytical expression of the charge-complex distribution function is formally derived, which is then applied to calculate the binding energy of the Kondo state. In the general asymmetric cases the behaviors of localized- and conduction-electron numbers are investigated as functions ofU and other parameters by numerically solving the integral equation. Particularly, for the asymmetric limitU2V ² and _{F a} ( _F the Fermi level, _a the localized level), when a nonintegral localized-electron valence is stabilized implying a valence fluctuation, _F lies in the gap, whereas when it is an integral valence, _F lies in the upper band. The former state is semiconducting and the latter is metallic.     

Density of states for intermediate valence and Kondo systems

We calculate the density of states for the nondegenerate Anderson model for various values ofu=U/ andn _f using the perturbation theory withu as the expansion parameter. Summing all the -independent self-energy diagrams, we use the Friedel sum rule and Ward identities to express the physical quantities in terms of the remaining -dependent part of the self-energy, which we evaluate to the 2nd order. The results for the spin and charge susceptibilities obtained in such a way compare rather well with the Bethe-ansatz results. The density of states exhibits different features in different parts of the parameter space. In Kondo region (u>1,n _f 1, i.e., – _f ~U/2), we obtain a many-body resonance (half-width T _K ) around the Fermi level and two broad peaks () at about _f +n _f U and _f +U. In the VF region (u>1, and | _f |) we obtain only two peaks (), one at about _f and one between _f +n _f U and _f +U. The consequences regarding the shape of the photoemission and inverse photoemission spectra of Ce intermetallics are discussed.     

Geometric expansion of the boundary free energy of a dilute gas

We consider a dilute classical gas in a volume ^–1 which tends to ^d by dilation as 0. We prove that the pressurep(^–1) isC ^q in at =0 (thermodynamic limit), for anyq, provided the boundary isC ^q and provided the Ursell functionsu _n (x ₁, ...,x _n) admit moments of degreeq and have nice derivatives.     

Optimal multigrid algorithms for the massive Gaussian model and path integrals

Multigrid algorithms are presented which, in addition to eliminating the critical slowing down, can also eliminate the volume factor. The elimination of the volume factor removes the need to produce many independent fine-grid configurations for averaging out their statistical deviations, by averaging over the many samples produced on coarse grids during the multigrid cycle. Thermodynamic limits of observables can be calculated to relative accuracy _r in justO( _r ^-2 ) computer operations, where _r is the error relative to the standard deviation of the observable. In this paper, we describe in detail the calculation of the susceptibility in the one-dimensional massive Gaussian model, which is also a simple example of path integrals. Numerical experiments show that the susceptibility can be calculated to relative accuracy _r in about 8 _r ^-2 random number generations, independent of the mass size.     

Band-gap structure of the spectrum of periodic Maxwell operators

We investigate the band-gap structure of some second-order differential operators associated with the propagation of waves in periodic two-component media. Particularly, the operator associated with the Maxwell equations with position-dependent dielectric constant (x),xR ³, is considered. The medium is assumed to consist of two components: the background, where (x) = _b , and the embedded component composed of periodically positioned disjoint cubes, where (x) = _a . We show that the spectrum of the relevant operator has gaps provided some reasonable conditions are imposed on the parameters of the medium. Particularly, we show that one can open up at least one gap in the spectrum at any preassigned point provided that the size of cubesL, the distancel=L betwen them, and the contrast = _b / _a are chosen in such a way thatL ^–2, and quantities ^-1-3/2 and ² are small enough. If these conditions are satisfied, the spectrum is located in a vicinity of widthw(^3/2)^-1 of the set {² L ^-2 k ²:kZ³}. This means, in particular, that any finite number of gaps between the elements of this discrete set can be opened simultaneously, and the corresponding bands of the spectrum can be made arbitrarily narrow. The method developed shows that if the embedded component consists of periodically positioned balls or other domains which cannot pack the space without overlapping, one should expect pseudogaps rather than real gaps in the spectrum.     

Colored noise in activated rate processes

We consider bistable systems driven by stationary wideband Gaussian colored noise. We construct uniform asymptotic expansions of the stationary probability density function and of the activation rate, for small intensity and short correlation time of the noise. We find that for different values of the total power output / of the noise, different terms in the asymptotic expansions become dominant. For we recover previously derived results, while for =O() and new results are obtained.     

Frequency Dependence of the Components of Dielectric Permeability and Characteristic Losses of Fluorite

The ₁(E), –Im^–1, and Re^–1 spectra of the fluorite crystal are calculated on the basis of the experimental (10–35 eV) and theoretical spectra ₂(E) (10–27 and 8–20 eV). They were employed to decompose the ₂(E) and –Im^–1 spectra into elementary components. The most intense transverse and longitudinal components of transitions and their parameters have been determined. The correlation between two types of components of transitions and their distinguishing features have been established.     

Photonic pseudogaps for periodic dielectric structures

We consider the problems of existence and structure of gaps (pseudogaps) in the spectra associated with Maxwell equations and equations that govern the propagation of acoustic waves in periodic two-component media. The dielectric constant is assumed to be real and positive, and the value of = _b on the background is supposed to be essentially larger than the value of = _a on the embedded component. We prove the existence of pseudogaps in the spectra of the relevant operators. In particular, we give an accurate treatment of the term pseudogap. We also show that if the contrast _b / _a approaches infinity, then the bands of the spectrum shrink to a discrete set which can be identified with the set of eigenvalues of a Neumann-type boundary value problem and thus can be effectively calculated.     

Collision Integrals for Attractive Potentials

Motivated by previous discussions of particle interactions under the Manev potential U(r)=–/r–/r ², we construct the collision integrals for attractive potentials U(r) satisfying the condition U(r) r ²– as r0 with 0. For =0, we obtain a Boltzmann-type integral with a collision law allowing spiral interactions and nonunique correspondence between impact parameter and scattering angle. For >0, an additional Smoluchowski-type coagulation integral arises. All these integrals are derived and possible applications are discussed.