Control of reaction channels of CsI molecule by ultra-short laser pulse

The influence of the ultra-short pulse wavelength on the populations in the three electronic states of CsI molecule is investigated using the time-dependent wave packet method. The calculated results show that the populations in the two excited states approach to the maxima at the wavelengths of 369 nm and 297 nm, respectively. The photodissociation reaction channels of the CsI molecule can be chosen by controlling the pump pulse wavelength.     

Secondary plasmon resonance in graphene nanostructures

The plasmon characteristics of two graphene nanostructures are studied using time-dependent density functional theory (TDDFT). The absorption spectrum has two main bands, which result from π and σ + π plasmon resonances. At low energies, the Fourier transform of the induced charge density maps exhibits anomalous behavior, with a π phase change in the charge density maps in the plane of the graphene and those in the plane 0.3 ? from the graphene. The charge density fluctuations close to the plane of the graphene are much smaller than those above and beneath the graphene plane. However, this phenomenon disappears at higher energies. By analyzing the electronic properties, we may conclude that the restoring force for the plasmon in the plane of the graphene does not result from fixed positive ions, but rather the Coulomb interactions with the plasmonic oscillations away from the plane of the graphene, which extend in the surface-normal direction. The collective oscillation in the graphene plane results in a forced vibration. Accordingly, the low-energy plasmon in the graphene can be split into two components: a normal component, which corresponds to direct feedback of the external perturbation, and a secondary component, which corresponds to feedback of the Coulombic interaction with the normal component.     

Theoretical prediction on vibrational spectra of [Ar…Ar-H]~+

As a special substance between isolated molecules and condensed phase, clusters have drawn more and more attention by theoreticians and experimentalists. The protonated rare gas cluster is one kind of simplest clusters, which can be looked on as the simplest solution composed of the simplest solute, proton, and the simplest solvent, rare gas. The study on such a system can help us to know more about the complex condensed matter. However, the information for the molecular properties of protonat…     

非线性漂移的Fokker-Planck方程的近似非定态解

研究了由高斯白噪声和色噪声作用下的非线性动力学系统的不稳定态演化问题. 在弱噪声极限下, 运用本征值本征矢理论得到了非定态解ρ(x, t)的近似表达式; 分析了色噪声自关联时间τ, 强度α对ρ(x, t)以及对一、二阶矩的影响. 数值模拟发现: 1)t在一定范围内, ρ(x, t)是变量x和t的单调函数, 且随τ的增大而增大, 反之, 随α的增大而减小; 2)一阶矩是τ和α的单调函数, 但二阶矩却是非单调函数, 在参数影响下发生了相变现象. 关键词： 奥恩斯坦-乌伦贝克过程 本征值 本征矢 非定态解     

岩石裂纹演化及其力学特性的研究进展

综述评介了岩石裂纹（缺陷）演化及其力学特性研究的近期进展．其内容包括：微细观裂纹演化及其力学特性,时间相关性,裂纹扩展与岩石破坏,并结合某些工程问题进行了讨论．     

Optimal vibration control of flexible spacecraft during a minimum-time maneuver

This paper is concerned with the simultaneous maneuver and vibration control of a flexible spacecraft. The problem is solved by means of a perturbation approach whereby the slewing of the spacecraft regarded as rigid represents the zero-order problem and the control of vibration, as well as of perturbations from the rigid-body maneuver, represents the first-order problem. The zero-order control is to be carried out in minimum time, which implies bang-bang control. On the other hand, the first-order control is a time-dependent linear quadratic regulator including integral feedback and prescribed convergence rate.This research was sponsored by USAF/ASD and AFOSR Research Grant F33615-86-C-3233 monitored by Drs. A. K. Amos and V. B. Venkayya, whose support is greatly appreciated.     

Time-dependent quantum fluid density functional theory of hydrogen molecule under intense laser fields

A time-dependent generalized non-linear Schr?dinger equation (GNLSE) of motion was earlier derived in our laboratory by combining density functional theory and quantum fluid dynamics in three-dimensional space. In continuation of the work reported previously, the GNLSE is applied to provide additional knowledge on the femtosecond dynamics of the electron density in the hydrogen molecule interacting with high-intensity laser fields. For this purpose, the GNLSE is solved numerically for many time-steps over a total interaction time of 100 fs, by employing a finite-difference scheme. Various time-dependent (TD) quantities, namely, electron density, ground-state survival probability and dipole moment have been obtained for two laser wavelengths and four different intensities. The high-order harmonics generation (HHG) is also examined. The present approach goes beyond the linear response formalism and, in principle, calculates the TD electron density to all orders of change. Dedicated to Prof. D Mukherjee on his 60th birthday     

Heisenberg方程的保结构计算

出了Heishenberg方程的保等时交换关系-辛格式,为Heishenberg图景下计算量子系统(特别是时间相关外场中的原子)的时间演化提供了保结构的算法,用这种算法计算了一个非线性谐振子,结果显示保等时交换关系-辛格式对求解Heishenberg方程是精确和有效的.     

瀑布沟水电站库首右岸深部裂缝成因分析

水电工程常常建在高山峡谷地带,其天然岸坡通常由坡面向内有一个强卸荷带和弱卸荷带以及相应的强风化和弱风化带,内侧则为完整新鲜的岩石。对涉及的工程岸坡在正常卸荷带以内发育的一系列张性破裂或破裂带,称之为“深拉裂缝”。瀑布沟水电站库首右岸存在两个拉裂变形体,通过对其岸坡深部拉裂缝空间发育分布、变形特征的考察,综合分析造成深部裂缝发育规律与变形特征的因素。在此基础上提出,库首右岸深部拉裂缝是岸坡快速卸荷条件下浅表生改造的产物,其形成时期相当于河谷由宽谷深切为峡谷这一转换时期。     

Finite Difference Method for an Optimal Control Problem for a Nonlinear Time-dependent Schrödinger Equation

The finite difference method is applied to an optimal control problem for a system governed by a nonlinear Schrödinger equation with a complex coe?cient. The optimal control problem is discretized by the finite difference method, the error estimate for the finite difference scheme is established and the convergence of difference approximations of the optimal control according to the functional is proved.