On the variance of the number of occupied boxes

We consider the occupancy problem where balls are thrown independently at infinitely many boxes with fixed positive frequencies. It is well known that the random number of boxes occupied by the first n balls is asymptotically normal if its variance V_n tends to infinity. In this work, we mainly focus on the opposite case where V_n is bounded, and derive a simple necessary and sufficient condition for convergence of V_n to a finite limit, thus settling a long-standing question raised by Karlin in the seminal paper of 1967. One striking consequence of our result is that the possible limit may only be a positive integer number. Some new conditions for other types of behavior of the variance, like boundedness or convergence to infinity, are also obtained. The proofs are based on the poissonization techniques.Comment: 34 page

Kramers-Kronig constrained variational analysis of optical spectra

A universal method of extraction of the complex dielectric function $\epsilon(\omega)=\epsilon_{1}(\omega)+i\epsilon_{2}(\omega)$ from experimentally accessible optical quantities is developed. The central idea is that $\epsilon_{2}(\omega)$ is parameterized independently at each node of a properly chosen anchor frequency mesh, while $\epsilon_{1}(\omega)$ is dynamically coupled to $\epsilon_{2}(\omega)$ by the Kramers-Kronig (KK) transformation. This approach can be regarded as a limiting case of the multi-oscillator fitting of spectra, when the number of oscillators is of the order of the number of experimental points. In the case of the normal-incidence reflectivity from a semi-infinite isotropic sample the new method gives essentially the same result as the conventional KK transformation of reflectivity. In contrast to the conventional approaches, the proposed technique is applicable, without readaptation, to virtually all types of linear-response optical measurements, or arbitrary combinations of measurements, such as reflectivity, transmission, ellipsometry {\it etc.}, done on different types of samples, including thin films and anisotropic crystals.Comment: 10 pages, 7 figure

Lagrangian Framework for Systems Composed of High-Loss and Lossless Components

Using a Lagrangian mechanics approach, we construct a framework to study the dissipative properties of systems composed of two components one of which is highly lossy and the other is lossless. We have shown in our previous work that for such a composite system the modes split into two distinct classes, high-loss and low-loss, according to their dissipative behavior. A principal result of this paper is that for any such dissipative Lagrangian system, with losses accounted by a Rayleigh dissipative function, a rather universal phenomenon occurs, namely, selective overdamping: The high-loss modes are all overdamped, i.e., non-oscillatory, as are an equal number of low-loss modes, but the rest of the low-loss modes remain oscillatory each with an extremely high quality factor that actually increases as the loss of the lossy component increases. We prove this result using a new time dynamical characterization of overdamping in terms of a virial theorem for dissipative systems and the breaking of an equipartition of energy.Comment: 53 pages, 1 figure; Revision of our original manuscript to incorporate suggestions from refere

Two center multipole expansion method: application to macromolecular systems

We propose a new theoretical method for the calculation of the interaction energy between macromolecular systems at large distances. The method provides a linear scaling of the computing time with the system size and is considered as an alternative to the well known fast multipole method. Its efficiency, accuracy and applicability to macromolecular systems is analyzed and discussed in detail.Comment: 23 pages, 7 figures, 1 tabl

Ab initio study of alanine polypeptide chains twisting

We have investigated the potential energy surfaces for alanine chains consisting of three and six amino acids. For these molecules we have calculated potential energy surfaces as a function of the Ramachandran angles Phi and Psi, which are widely used for the characterization of the polypeptide chains. These particular degrees of freedom are essential for the characterization of proteins folding process. Calculations have been carried out within ab initio theoretical framework based on the density functional theory and accounting for all the electrons in the system. We have determined stable conformations and calculated the energy barriers for transitions between them. Using a thermodynamic approach, we have estimated the times of characteristic transitions between these conformations. The results of our calculations have been compared with those obtained by other theoretical methods and with the available experimental data extracted from the Protein Data Base. This comparison demonstrates a reasonable correspondence of the most prominent minima on the calculated potential energy surfaces to the experimentally measured angles Phi and Psi for alanine chains appearing in native proteins. We have also investigated the influence of the secondary structure of polypeptide chains on the formation of the potential energy landscape. This analysis has been performed for the sheet and the helix conformations of chains of six amino acids.Comment: 24 pages, 10 figure

Instability of coherent states of a real scalar field

We investigate stability of both localized time-periodic coherent states (pulsons) and uniformly distributed coherent states (oscillating condensate) of a real scalar field satisfying the Klein-Gordon equation with a logarithmic nonlinearity. The linear analysis of time-dependent parts of perturbations leads to the Hill equation with a singular coefficient. To evaluate the characteristic exponent we extend the Lindemann-Stieltjes method, usually applied to the Mathieu and Lame equations, to the case that the periodic coefficient in the general Hill equation is an unbounded function of time. As a result, we derive the formula for the characteristic exponent and calculate the stability-instability chart. Then we analyze the spatial structure of the perturbations. Using these results we show that the pulsons of any amplitudes, remaining well-localized objects, lose their coherence with time. This means that, strictly speaking, all pulsons of the model considered are unstable. Nevertheless, for the nodeless pulsons the rate of the coherence breaking in narrow ranges of amplitudes is found to be very small, so that such pulsons can be long-lived. Further, we use the obtaned stability-instability chart to examine the Affleck-Dine type condensate. We conclude the oscillating condensate can decay into an ensemble of the nodeless pulsons.Comment: 11 pages, 8 figures, submitted to Physical Review

Magnetically frustrated synthetic end member Mn2(PO4)OH in the triplite-triploidite family

The manganese end member of triplite-triploidite series of compounds, Mn2(PO4)OH, is synthesized by a hydrothermal method. Its crystal structure is refined in the space group P21/c with a = 12.411(1) Å, b = 13.323(1) Å, c = 10.014(1) Å, β = 108.16(1), V = 1573.3 Å3, Z = 8, and R = 0.0375. Evidenced in measurements of magnetization M and specific heat Cp, Mn2(PO4)OH reaches a long range antiferromagnetic order at TN = 4.6 K. As opposed to both triplite Mn2(PO4)F and triploidite-type Co2(PO4)F, the title compound is magnetically frustrated being characterized by the ratio of Curie-Weiss temperature Θ to Néel temperature TN of about 20. The large value of frustration strength Θ/TN stems from the twisted saw tooth chain geometry of corner sharing triangles of Mn polyhedra, which may be isolated within tubular fragments of a triploidite crystal structure. © 2017 The Royal Society of Chemistry.We thank E. V. Guseva for the X-ray spectral analysis of the sample and N. V. Zubkova for her help in the X-ray experiment. This work was supported by the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST "MISiS" project K2-2016-066 and by RFBR projects 15-05-06742, 16-02-00021 and 17-02-00211. The work was supported by Act 211 Government of the Russian Federation, contracts 02.A03.21.0004, 02.A03.21.0006 and 02.A03.21.0011

Central factorials under the Kontorovich-Lebedev transform of polynomials

We show that slight modifications of the Kontorovich-Lebedev transform lead to an automorphism of the vector space of polynomials. This circumstance along with the Mellin transformation property of the modified Bessel functions perform the passage of monomials to central factorial polynomials. A special attention is driven to the polynomial sequences whose KL-transform is the canonical sequence, which will be fully characterized. Finally, new identities between the central factorials and the Euler polynomials are found.Comment: also available at http://cmup.fc.up.pt/cmup/ since the 2nd August 201

Scar functions in the Bunimovich Stadium billiard

In the context of the semiclassical theory of short periodic orbits, scar functions play a crucial role. These wavefunctions live in the neighbourhood of the trajectories, resembling the hyperbolic structure of the phase space in their immediate vicinity. This property makes them extremely suitable for investigating chaotic eigenfunctions. On the other hand, for all practical purposes reductions to Poincare sections become essential. Here we give a detailed explanation of resonances and scar functions construction in the Bunimovich stadium billiard and the corresponding reduction to the boundary. Moreover, we develop a method that takes into account the departure of the unstable and stable manifolds from the linear regime. This new feature extends the validity of the expressions.Comment: 21 pages, 10 figure

Multi-transmission-line-beam interactive system

We construct here a Lagrangian field formulation for a system consisting of an electron beam interacting with a slow-wave structure modeled by a possibly non-uniform multiple transmission line (MTL). In the case of a single line we recover the linear model of a traveling wave tube (TWT) due to J.R. Pierce. Since a properly chosen MTL can approximate a real waveguide structure with any desired accuracy, the proposed model can be used in particular for design optimization. Furthermore, the Lagrangian formulation provides for: (i) a clear identification of the mathematical source of amplification, (ii) exact expressions for the conserved energy and its flux distributions obtained from the Noether theorem. In the case of uniform MTLs we carry out an exhaustive analysis of eigenmodes and find sharp conditions on the parameters of the system to provide for amplifying regimes