Stochastic Order and Generalized Weighted Mean Invariance

In this paper, we present order invariance theoretical results for weighted quasi-arithmetic means of a monotonic series of numbers. The quasi-arithmetic mean, or Kolmogorov–Nagumo mean, generalizes the classical mean and appears in many disciplines, from information theory to physics, from economics to traffic flow. Stochastic orders are defined on weights (or equivalently, discrete probability distributions). They were introduced to study risk in economics and decision theory, and recently have found utility in Monte Carlo techniques and in image processing. We show in this paper that, if two distributions of weights are ordered under first stochastic order, then for any monotonic series of numbers their weighted quasi-arithmetic means share the same order. This means for instance that arithmetic and harmonic mean for two different distributions of weights always have to be aligned if the weights are stochastically ordered, this is, either both means increase or both decrease. We explore the invariance properties when convex (concave) functions define both the quasi-arithmetic mean and the series of numbers, we show its relationship with increasing concave order and increasing convex order, and we observe the important role played by a new defined mirror property of stochastic orders. We also give some applications to entropy and cross-entropy and present an example of multiple importance sampling Monte Carlo technique that illustrates the usefulness and transversality of our approach. Invariance theorems are useful when a system is represented by a set of quasi-arithmetic means and we want to change the distribution of weights so that all means evolve in the same direction.     

Blind parameter estimation of pseudo-random binary code-linear frequency modulation signal based on Duffing oscillator at low SNR

Conventional parameter estimation methods for pseudo-random binary code-linear frequency modulation(PRBCLFM) signals require prior knowledge, are computationally complex, and exhibit poor performance at low signal-to-noise ratios(SNRs). To overcome these problems, a blind parameter estimation method based on a Duffing oscillator array is proposed. A new relationship formula among the state of the Duffing oscillator, the pseudo-random sequence of the PRBC-LFM signal, and the frequency difference between the PRBC-LFM signal and the periodic driving force signal of the Duffing oscillator is derived, providing the theoretical basis for blind parameter estimation. Methods based on amplitude method, short-time Fourier transform method, and power spectrum entropy method are used to binarize the output of the Duffing oscillator array, and their performance is compared. The pseudo-random sequence is estimated using Duffing oscillator array synchronization, and the carrier frequency parameters are obtained by the relational expressions and characteristics of the difference frequency. Simulation results show that this blind estimation method overcomes limitations in prior knowledge and maintains good parameter estimation performance up to an SNR of-35 d B.     

Configuration interaction study on low-lying states of AlCl molecule

High-level ab initio calculations of the Λ–S states for aluminum monoiodide(Al Cl) molecule are performed by utilizing the explicitly correlated multireference configuration interaction(MRCI-F12) method. The Davidson correction and scalar relativistic correction are investigated in the calculations. Based on the calculation by the MRCI-F12 method, the spin–orbit coupling(SOC) effect is investigated with the state-interacting technique. The adiabatic potential energy curves(PECs) of the 13 Λ–S states and 24 Ω states are calculated. The spectroscopic constants of bound states are determined,which are in accordance with the results of the available experimental and theoretical studies. Finally, the transition properties of 0~+(2)–X0~+, 1(1)–X0~+, and 1(2)–X0~+ transitions are predicted, including the transition dipole moments(TDMs),Franck–Condon factors(FCFs), and the spontaneous radiative lifetimes.     

Collective stochastic resonance behaviors of two coupled harmonic oscillators driven by dichotomous fluctuating frequency

The collective behaviors of two coupled harmonic oscillators with dichotomous fluctuating frequency are investigated,including stability, synchronization, and stochastic resonance(SR). First, the synchronization condition of the system is obtained. When this condition is satisfied, the mean-field behavior is consistent with any single particle behavior in the system. On this basis, the stability condition and the exact steady-state solution of the system are derived. Comparative analysis shows that, the stability condition is stronger than the synchronization condition, that is to say, when the stability condition is satisfied, the system is both synchronous and stable. Simulation analysis indicates that increasing the coupling strength will reduce the synchronization time. In weak coupling region, there is an optimal coupling strength that maximizes the output amplitude gain(OAG), thus the coupling-induced SR behavior occurs. In strong coupling region, the two particles are bounded as a whole, so that the coupling effect gradually disappears.     

Spinor F=1 Bose–Einstein condensates loaded in two types of radially-periodic potentials with spin–orbit coupling

We consider two-dimensional spinor F = 1 Bose–Einstein condensates in two types of radially-periodic potentials with spin–orbit coupling, i.e., spin-independent and spin-dependent radially-periodic potentials. For the Bose–Einstein condensates in a spin-independent radially-periodic potential, the density of each component exhibits the periodic density modulation along the azimuthal direction, which realizes the necklacelike state in the ferromagnetic Bose–Einstein condensates. As the spin-exchange interaction increases, the necklacelike state gradually transition to the plane wave phase for the antiferromagnetic Bose–Einstein condensates with larger spin–orbit coupling. The competition of the spin-dependent radially-periodic potential, spin–orbit coupling, and spin-exchange interaction gives rise to the exotic ground-state phases when the Bose–Einstein condensates in a spin-dependent radially-periodic potential.     

Effects of an anisotropic parabolic potential and Coulomb’s impurity potential on the energy characteristics of asymmetrical semi-exponential CsI quantum wells

Because of its unique optoelectronic properties,people have studied the characteristics of polarons in various quantum well(QW)models.Among them,the asymmetrical semiexponential QW(ASEQW)is a new model for studying the structure of QWs in recent years.It is of great significance to study the influences of the impurity and anisotropic parabolic confinement potential(APCP)on the crystal’s properties,because some of the impurities,usually regarded as Coulomb’s impurity potential(CIP),will exist in the crystal more or less,and the APCP has flexible adjustment parameters.However,the energy characteristics of the ASEQW under the combined actions of impurities and APCP have not been studied,which is the motivation of this paper.Using the linear combination operation and Lee-Low-Pines unitary transformation methods,we investigate the vibrational frequency and the ground state energy of the strong coupling polaron in an ASEQW with the influences of the CIP at the origin of coordinates and APCP,and make a comparison between our results and previous literature’s.Our numerical results about the energy properties in the ASEQW influenced by the CIP and APCP may have important significances for experimental design and device preparation.     

多周期激光相位对H2+谐波频移的影响

理论研究了多周期激光相位角对H2+谐波频移的影响。结果表明,在多周期激光驱动下H2+谐波光谱在零相位时呈现蓝移现象。随着激光相位增大,谐波光谱由蓝移转向红移。随着激光相位进一步增大,谐波红移减弱。理论分析表明谐波频移是由激光上升和下降区域谐波辐射强度变化引起的。并且谐波辐射强度变化对激光相位比较敏感。     

Prediction of cathodic E1/21 and E1/22 values for viologen-containing conjugated unimers and dimers from calculated pKb values of the aromatic substituents

A library of 18 conjugated, rod-like compounds with either one or two viologen residues were synthesized and characterized electrochemically. Containing up to 8 aromatic/heterocyclic rings in conjugation, the members of the library differ in the substitution pattern of electron-withdrawing or -donating groups on the aromatic substituents of the viologen units. The first and second half-wave potentials of each member were found to be linearly correlated with the calculated pK_b values of the aromatic end-groups. This relationship will enable the half-wave potentials of related, novel, substituted viologen species to be predicted using a simple, empirical formula.     

About the compatibility between ansatzes and constraints for a local formulation of orbital‐free density functional theory

Functional properties that are exact for the Hohenberg–Kohn functional may turn into mutually exclusive constraints at a given level of ansatz. This is exemplarily shown for the local density approximation. Nevertheless, it is possible to reach exactly the Kohn–Sham data from an orbital‐free density functional framework based on simple one‐point functionals by starting from the Levy–Perdew–Sahni formulation. The energy value is obtained from the density‐potential pair, and therefore does not refer to the functional dependence of the potential expression. Consequently, the potential expression can be obtained from any suitable model and is not required to follow proper scaling behavior.     

The exact Fermi potential yielding the Hartree–Fock electron density from orbital‐free density functional theory

The exact expression for the Fermi potential yielding the Hartree–Fock electron density within an orbital‐free density functional formalism is derived. The Fermi potential, which is defined as that part of the potential that depends on the particles’ nature, is in this context given as the sum of the Pauli potential and the exchange potential. The exact exchange potential for an orbital‐free density functional formalism is shown to be the Slater potential.