Statistics of Persistent Events in the Binomial Random Walk: Will the Drunken Sailor Hit the Sober Man?

The statistics of persistent events, recently introduced in the context of phase ordering dynamics, is investigated in the case of the one-dimensional lattice random walk in discrete time. We determine the survival probability of the random walker in the presence of an obstacle moving ballistically with velocity v, i.e., the probability that the random walker remains up to time n on the left of the obstacle. Three regimes are to be considered for the long-time behavior of this probability, according to the sign of the difference between v and the drift velocity V¯ of the random walker. In one of these regimes (v>V¯), the survival probability has a nontrivial limit at long times which is discontinuous at all rational values of v. An algebraic approach allows us to compute these discontinuities as well as several related quantities. The mathematical structure underlying the solvability of this model combines elementary number theory, algebraic functions, and algebraic curves defined over the rationals.     

线性等式约束系统广义Riccati代数方程的求解*

本文基于定常离散LQ控制问题的动力学方程、价值泛函及系统的约束方程,根据极大值原理,给出了线性等式约束系统下的广义Riccati方程,进而对上述方程进行了深入的探讨,并给出了相应的数值例题。     

Algebraic solutions for point groups: Cubic groups G in the group chain G⊃T⊃D2⊃C2

Concise algebraic expressions of the symmetry‐adapted functions (SAFs) for both single‐valued and double‐valued representations are derived for the group chain O⊃T⊃D₂⊃C₂ and O⊃D₄⊃D₂⊃C₂, which are functions of only the quantum numbers of the respective group chain without involving any irreducible matrix elements. It is shown that the SAFs of the cubic groups G=O,T_d,T_h,O_h can be expressed in a simple way in terms of the SAFs of the group T. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 76: 585–599, 2000     

Multiplicity,instability, and SCF convergence problems in Hartree–Fock solutions

We present a study of the instability and convergence of Hartree–Fock (HF) ab initio solutions for the diatomic systems H₂, LiH, CH, C₂, and N₂. In our study, we consider real molecular orbitals (MOs) and analyze the classes of single‐determinant functions associated to Hartree–Fock–Roothaan (HFR) and Hartree–Fock–Pople–Nesbet (HFPN) equations. To determine the multiple HF solutions, we used either an SCF iterative procedure with aufbau and non‐aufbau ordering rules or the algebraic method (AM). Stability conditions were determined using TICS and ASDW stability matrices, derived from the maximum and minimum method of functions (MMF). We examined the relationship between pure SCF convergence criterion with the aufbau ordering rule, and the classification of the HF solution as an extremum point in its respective class of functions. Our results show that (i) in a pure converged SCF calculation, with the aufbau ordering rule, the solutions are not necessarily classified as a minimum of the HF functional with respect to the TICS or ASDW classes of solutions, and (ii) for all studied systems, we obtained local minimum points associated only with the aufbau rule and the solutions of lower energies. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 76: 600–610, 2000     

Rotationally inelastic molecule–surface scattering: dynamical lie algebraic method

The rotationally inelastic molecule–surface scattering is analyzed using dynamical Lie algebraic method. We treat, by example, the simple model of the scattering of NO from a rigid, flat Ag(111) surface. The explicit expressions of transition probability and the probability current density are obtained. It is proved that dynamical Lie algebraic method can be useful for describing the scattering problems. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 76: 500–510, 2000     

Commutator perturbation method in the study of vibrational–rotational spectra of diatomic molecules

The commutator perturbation method, an algebraic version of the Van Vleck–Primas perturbation method, expressed in terms of ladder operators, has been applied to solving the eigenvalue problem of the Hamiltonian describing the vibrational–rotational motion of a diatomic molecule. The physical model used in this work is based on Dunham's approach. The method facilitates obtaining both energies and eigenvectors in an algebraic way. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 77: 721–726, 2000     

The Essentially Equational Theory of Horn Classes

It is well known that the model categories of universal Horn theories are locally presentable, hence essentially algebraic (see [2]). In the special case of quasivarieties a direct translation of the implicational syntax into the essentially equational one is known (see [1]). Here we present a similar translation for the general case, showing at the same time that many relationally presented Horn classes are in fact (equivalent to) quasivarieties.     

Dynamical Lie algebraic treatment for the A+BC scattering

We report the study of translational‐vibrational energy transfer in the A+BC scattering using the dynamical Lie algebraic approach combined with the intermediate picture. The rotational sudden approximation is applied to treat the rotational motion of the BC molecule, which is regarded as an anharmonic oscillator. The calculated results show that the transition probabilities increase with increasing rotational quantum number. Comparison with those obtained in the collinear collision of system A+BC manifests that the transition probabilities here increase indeed. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 81: 214–221, 2001     

半环上的赋值与实赋值

在有单位元的交换半环上,引入赋值和实赋值的概念,在此基础上建立有关半环上赋值和实赋值的一些基本结论。此外,引入了赋值与亚序之间的相容性,并通过赋值与亚序的相容性建立了一个赋值是实赋值的充分必要条件。     

并行二级多分裂迭代方法

1．二级多分裂迭代法本义考虑求解线性代数方程组的几种同步与异步二级多分裂迭代法，其中A为nXn非奇异矩阵．多分别选代法考虑A的多种分裂用IF负对角权矩阵EI（ZEI一川进行组合，可得l＝1．多分裂迭代法任给刘始向量。0对k—1，2，…，直到收敛如果（1．2）中对所有l，MI＝Dilg（Al；…；A。。），EI＝（O，…，O，I，O，…，O），则多分裂迭代法退化成块Jacobi迭代法，同样，多分裂迭代法具有自然的并行性，若EI的某个对角元为0，则从的对应分量无需计算．当然，（1．3）可用直接法精确求解，如Gauss消去法，LU分解法等，但有…