Periodic,breather and rogue wave solutions for a generalized (3+1)-dimensional variable-coefficient B-type Kadomtsev–Petviashvili equation in fluid dynamics

Under investigation in this paper is a generalized (3+1)-dimensional variable-coefficient B-type Kadomtsev–Petviashvili equation, which describes the propagation of nonlinear waves in fluid dynamics. Periodic wave solutions are constructed by virtue of the Hirota–Riemann method. Based on the extended homoclinic test approach, breather and rogue wave solutions are obtained. Moreover, through the symbolic computation, the relationship between the one-periodic wave solutions and one-soliton solutions has been analytically discussed, and it is shown that the one-periodic wave solutions approach the one-soliton solutions when the amplitude $\eta \to 0$.     

Anomalous Energy Minima Surfaces

Previous publications^2–5 have examined the phenomenon of level crossings as predicted by the semiempirical techniques CNDO/2⁶, IMDO⁷, and MINDO/3⁸ for certain molecules when the total energy is viewed as a function of some conformational property. The purpose of this article is to examine this same phenomenon using the extended Hückel method(EHM)⁹, the iterated extended Hückel method(IEHM), and an ab-initio procedure with a minimal STO-3G basis set. The molecule chosen for this study is CO₂ due to its structural simplicity and since previous calculations^2–5 have demonstrated level crossing with this molecule.     

Absolute configuration assignment made easier by the VCD of coupled oscillating carbonyls: the case of (−)-propanedioic acids, 2-(2,3)-dihydro-3-oxo-1H-isoindol-1-yl)-1,3-dimethyl ester

Depending on their relative orientation, coupled oscillating carbonyl groups provide a VCD spectrum with a characteristic CO bond stretching region showing a strong bisignate VCD feature, which can be readily predicted adopting long available semiempirical methods. The extended coupled oscillator (ECO) formalism has been used to assign the absolute configuration of a recently synthesized chiral 3-substituted isoindolinone. The prediction of (S) configuration for the (−) enantiomer has been confirmed by quantum mechanical calculations.     

准经典轨线方法对Ca+CD3Ⅰ→CaⅠ+CD3同位素效应的动力学研究

在扩展Lond-Eyring-Polanyi-Sato(LEPS)势能面上,采用准经典轨线方法对反应Ca+CD3I→CaI+CD3进行了动力学计算,并讨论了该反应的同位素效应.在同位素效应作用下,产物CaI的振动态分布向低振动态转移,反应体系的散射截面在低碰撞能和高碰撞能处有较小的变化.同时,受到反应物的质量因子变化的影响,产物转动取向值减少,产物转动取向增强.仅有产物的角分布受同位素效应的影响不明显.     

Zero Modes’ Fusion Ring and Braid Group Representations for the Extended Chiral <Emphasis Type="Italic">su</Emphasis>(2) WZNW Model

A zero modes’ Fock space is constructed for the extended chiral WZNW model. It gives room to a realization of the fusion ring of representations of the restricted quantum universal enveloping algebra at an even root of unity, and of its infinite dimensional extension by the Lusztig operators We provide a streamlined derivation of the characteristic equation for the Casimir invariant from the defining relations of A central result is the characterization of the Grothendieck ring of both and in Theorem 3.1. The properties of the fusion ring in are related to the braiding properties of correlation functions of primary fields of the conformal current algebra model.      

基于大功率LED扩展光源的均匀光斑光辐射模拟器设计

基于边缘光线原理和光学扩展量守恒思想,结合复合抛物面聚光器和轴对称自由曲面透镜,设计并研制了大功率发光二极管扩展光源的反射/折射准直器.运用Tracepro软件对系统进行光束追迹模拟仿真和实验,研制出均匀光斑的光辐射模拟器.模拟器输出发散角为±12°光束,测量距离出射面50cm处光屏的光斑,在尺寸为14cm×14cm的光照范围内,测得光斑水平方向中心线上的光度均匀度优于4.1%,竖直方向中心线上的光度均匀度优于3.8%.     

Self consistent modified extended Hückel (SC-MEH) calculations on heavy metal systems. I. Platinum(II) tetragonal planar complexes with and without relativistic effects

The Self Consistent Modified Extended Hückel molecular orbital method had been applied to several square planar complexes of platinum (II). Calculations including both the limited 5d, 6s, 6p and extended 5s, 5p, 5d, 6s, 6p starting bases for platinum were made. It is shown that in PtCl ₄ ^2– both the nuclear quadrupole moment and minimum total energy vs. bond distance are calculated to be in good agreement with experiment, only with the extended platinum AO basis.Specific inclusion of relativistic parameters via a pseudo-relativistic approximation are shown to have a significant effect on the energy molecular energy levels, however no meaningful rationalization can be made without the simultaneous inclusion of ligand field parameters as well.Supported in part by a grant made available through the Cancer Association of Greater New Orleans. Use of the facilities of the Computer Research Center of the University of New Orleans is gratefully acknowledged.     

Extended connectivity in chemical graphs

The true nature of the extended connectivity, used in Morgan algorithm for the canonical numerotation of points in chemical graphs, is discussed. An alternative method for its calculation based on the number of walks is described and shown to yield results identical to Morgan's method.     

Extended structures and new infinite-dimensional hidden symmetries for the Einstein–Maxwell-dilaton-axion theory with multiple vector fields

A so-called extended elliptical-complex (EEC) function method is proposed and used to further study the Einstein–Maxwell-dilaton-axion theory with p vector fields (EMDA-p theory, for brevity) for . An Ernst-like matrix EEC potential is introduced and the motion equations of the stationary axisymmetric EMDA-p theory are written as a so-called Hauser–Ernst-like self-dual relation for the EEC matrix potential. In particular, for the EMDA-2 theory, two Hauser–Ernst-type EEC linear systems are established and based on their solutions some new parametrized symmetry transformations are explicitly constructed. These hidden symmetries are verified to constitute an infinite-dimensional Lie algebra, which is the semidirect product of the Kac–Moody algebra and Virasoro algebra (without centre charges). These results show that the studied EMDA-p theories possess very rich symmetry structures and the EEC function method is necessary and effective.     

On the efficiency of selection criteria in spline regression

This paper concerns the cubic smoothing spline approach to nonparametric regression. After first deriving sharp asymptotic formulas for the eigenvalues of the smoothing matrix, the paper uses these formulas to investigate the efficiency of different selection criteria for choosing the smoothing parameter. Special attention is paid to the generalized maximum likelihood (GML), C _p and extended exponential (EE) criteria and their marginal Bayesian interpretation. It is shown that (a) when the Bayesian model that motivates GML is true, using C _p to estimate the smoothing parameter would result in a loss of efficiency with a factor of 10/3, proving and strengthening a conjecture proposed in Stein (1990); (b) when the data indeed come from the C _p density, using GML would result in a loss of efficiency of ; (c) the loss of efficiency of the EE criterion is at most 1.543 when the data are sampled from its consistent density family. The paper not only studies equally spaced observations (the setting of Stein, 1990), but also investigates general sampling scheme of the design points, and shows that the efficiency results remain the same in both cases.This work is supported in part by NSF grant DMS-0204674 and Harvard University Clark-Cooke Fund. Mathematics Subject Classification (2000):Primary: 62G08; Secondary: 62G20