Global X2A′ potential energy surface of Li2H and quantum dynamics of H + Li2 (X1Σg+) → Li + LiH (X1Σ+) reaction

A global potential energy surface (PES) for the electronic ground state of Li₂H system is constructed over a large configuration space. About 30 000 ab initio energy points have been calculated by MRCI‐F12 method with aug‐cc‐pVTZ basis set. The neural network method is applied to fit the PES and the root mean square error of the current PES is only 1.296 meV. The reaction dynamics of the title reaction has been carried out by employing time‐dependent wave packet approach with second order split operator on the new PES. The reaction probability, integral cross section and thermal rate constant are obtained from the dynamics calculation. In most of the collision energy regions, the integral cross sections are in well agreement with the results reported by Gao et al. The rate constant calculated from the new PES increases in the temperature range of present investigation.     

Determinants of Triangular Matrices and Trajectories on Ferre Diagrams

Some functions defined on the set of integer triangular matrices and their modifications are considered. These functions are analogs of the classical determinant and permanent functions and provide a powerful apparatus for studying sequences generated by linear recursive equations. Modifications of these functions are used to solve the problem about trajectories on Ferre diagrams and to establish new combinatorial identities.     

一个内生人口生育率可解的C-K模型

得到一个具有可解内生人口出生率的Ｃａｓｓ－Ｋｏｏｐｍａｎｓ经济增长模型．给出此模型在不同劳动和资本的结合方式下存在唯一最优增长轨道和稳态解的条件．最后讨论存在多重最优增长轨道和多重稳态解的可能性态和文中主要结果的经济意义．     

多重经济增长路径,多重稳态解和分歧

该文给出一个具有可解内生生育率的Cass-Koopmans（C-K）经济增长模型．证明参数满足时，模型存在多重经济增长路径和多重稳态解；当时，经济增长路径和稳态解唯一，即描述模型的微分动力系统出现分歧．文中讨论了多重经济增长路径的几何形态、位置关系和主要结果的经济意义．     

Combinatorial interpretations of the q-Faulhaber and q-Salié coefficients

Recently, Guo and Zeng discovered two families of polynomials featuring in a q-analogue of Faulhaber's formula for the sums of powers and a q-analogue of Gessel-Viennot's formula involving Salié's coefficients for the alternating sums of powers. In this paper, we show that these are polynomials with symmetric, nonnegative integral coefficients by refining Gessel-Viennot's combinatorial interpretations.     

Alternating sign matrices with one −1 under vertical reflection

We define a bijection that transforms an alternating sign matrix A with one −1 into a pair (N,E) where N is a (so called) neutral alternating sign matrix (with one −1) and E is an integer. The bijection preserves the classical parameters of Mills, Robbins and Rumsey as well as three new parameters (including E). It translates vertical reflection of A into vertical reflection of N. A hidden symmetry allows the interchange of E with one of the remaining two new parameters. A second bijection transforms (N,E) into a configuration of lattice paths called “mixed configuration.”     

The Fixed Point of a Generalization of the Renormalization Group Maps for Self-Avoiding Paths on Gaskets

Let W(x,y) = ax ³+ bx ⁴+ f ₅ x ⁵+ f ₆ x ⁶+ (3 ax ²)² y+ g ₅ x ⁵ y + h ₃ x ³ y ² + h ₄ x ⁴ y ² + n ₃ x ³ y ³+a ₂₄ x ² y ⁴+a ₀₅ y ⁵+a ₁₅ xy ⁵+a ₀₆ y ⁶, and X = , , where the coefficients are non-negative constants, with a > 0, such that X ²(x,x ²)−Y(x,x ²) is a polynomial of x with non-negative coefficients. Examples of the 2 dimensional map Φ: (x,y)↦ (X(x,y),Y(x,y)) satisfying the conditions are the renormalization group (RG) maps (modulo change of variables) for the restricted self-avoiding paths on the 3 and 4 dimensional pre-gaskets. We prove that there exists a unique fixed point (x _f ,y _f ) of Φ in the invariant set . 2000 Mathematics Subject Classification Numbers: 82B28; 60G99; 81T17; 82C41.