Charge transfer excitons: dynamic theory of vibronic spectra

The vibronic spectra of charge transfer excitons (CTE) in a molecular one-component or alternatingly ordered two-component chain are treated in the framework of a dynamic approach (neglecting thermal excitations of the intramolecular vibrations). The model introduces two mechanisms of coupling between CTEs and vibrational quanta: (1) shift of the equilibrium positions of the nuclei in the ionized donor or acceptor; (2) change of the vibrational frequency in the ionized molecule. This model allows to generalize the simple CTE Hamiltonian and the vibronic Hamiltonian of Frenkel excitons. The linear optical susceptibility is calculated in the vibronic region (one CTE and one vibrational quantum). The double splitting of vibronics of CTEs was analyzed: (1) the splitting connected with the location of the intramolecular vibration on the donors or on the acceptors; (2) the splitting connected with the symmetry of the vibronic spectra (in the degenerate case). The general structure of the vibronic spectra of CTEs is established. It contains structureless absorption lines, which correspond to two-particle bands (the phonon is excited on a neutral molecule neighboring the donor or the acceptor) and Lorentz-type lines of one-particle states, which correspond to the bound propagation of the CTE and the phonon.     

未确知数学方法处理物理实验数据

介绍未确知数学方法，并用未确知数学方法分析处理物理实验数据，与传统的数据处理方法比较，未确知数学方法不必对数据作任何假设，因此更合理，也更符合实际。     

半参数方差误差模型的估计

本文综合近邻权函数法及最小二乘法，用两阶段最小二乘估计的方法得到了半参数EV模型中参数的估计量及其强相合性，渐近正态性。同时也得到了非参数函数的估计量及其强相合性，一致强相合性。     

Strengthened semidefinite programming bounds for codes

We give a hierarchy of semidefinite upper bounds for the maximum size A(n,d) of a binary code of word length n and minimum distance at least d. At any fixed stage in the hierarchy, the bound can be computed (to an arbitrary precision) in time polynomial in n; this is based on a result of de Klerk et al. (Math Program, 2006) about the regular ∗-representation for matrix ∗-algebras. The Delsarte bound for A(n,d) is the first bound in the hierarchy, and the new bound of Schrijver (IEEE Trans. Inform. Theory 51:2859–2866, 2005) is located between the first and second bounds in the hierarchy. While computing the second bound involves a semidefinite program with O(n ⁷) variables and thus seems out of reach for interesting values of n, Schrijver’s bound can be computed via a semidefinite program of size O(n ³), a result which uses the explicit block-diagonalization of the Terwilliger algebra. We propose two strengthenings of Schrijver’s bound with the same computational complexity. Supported by the Netherlands Organisation for Scientific Research grant NWO 639.032.203.     

Nonparametric estimation and adaptive control in a class of finite Markov decision chains

We consider a class of Markov decision processes withfinite state and action spaces which, essentially, is determined by the following condition: The state space isirreducible under the action of any stationary policy. However, except by this restriction, the transition law iscompletely unknown to the controller. In this context, we find a set of policies under which thefrequency estimators of the transition law are strongly consistent and then, this result is applied to constructadaptive asymptotically discount-optimal policies.Dedicated to Professor Truman O. Lewis, on the occasion of his sixtieth birthdayThis research was supported in part by the Third World Academy of Sciences (TWAS) under Grant TWAS RG MP 898-152, and in part by the Consejo Nacional de Ciencia y Tecnología (CONACYT) under Grant A128CCOEO550 (MT-2).     

六角系统的边面点面全色数

本文得到了六角系统的边面和点面金色数．     

Zeroth-order phase transitions and Zipf law quantization

From the standpoint of thermodynamic averaging of fission microprocesses, we investigate the origin of radioactive release in an NPP after an accident or after resource depletion. The genesis of the NPP release is interpreted as a new thermodynamic phenomenon, a zeroth-order phase transition. This problem setting results in a problem in probabilistic number theory. We prove the corresponding theorem leading to quantization of the Zipf law for the frequency of a zeroth-order phase transition with different values of the jump of the Gibbs thermodynamic potential. We introduce the notion of hole dimension. __________ Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 150, No. 1, pp. 118–142, January, 2007.     

Pattern Search Method for Discrete <Emphasis Type="Italic">L</Emphasis><Subscript>1</Subscript>–Approximation

We propose a pattern search method to solve a classical nonsmooth optimization problem. In a deep analogy with pattern search methods for linear constrained optimization, the set of search directions at each iteration is defined in such a way that it conforms to the local geometry of the set of points of nondifferentiability near the current iterate. This is crucial to ensure convergence. The approach presented here can be extended to wider classes of nonsmooth optimization problems. Numerical experiments seem to be encouraging. This work was supported by M.U.R.S.T., Rome, Italy.     

Local polynomial fitting under association

We consider the estimation of multivariate regression functions r(x₁,…,x_d) and their partial derivatives up to a total order p1 using high-order local polynomial fitting. The processes {Y_i,X_i} are assumed to be (jointly) associated. Joint asymptotic normality is established for the estimates of the regression function r and all its partial derivatives up to the total order p. Expressions for the bias and variance/covariance matrix (of the asymptotic distribution) are given.     

A geometric theory forL 2-stability of the inverse problem in a one-dimensional elliptic equation from anH 1-observation

This study provides a stability theory for the nonlinear least-squares formulation of estimating the diffusion coefficient in a two-point boundary-value problem from an error-corrupted observation of the state variable. It is based on analysing the projection of the observation on the nonconvex attainable set.This research was started while G. Chavent visited the Technical University of Graz. Support through the Steiermaerkische Landesregierung is gratefully acknowledged.