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.     

Arrangement transformation approach to state-to-state quantum reactive scattering H + DH→DH + H, HH + D

Arrangement transformation approach (ATA) for doing state-to-state quantum reactive scattering calculations of atom-diatom systems is given. The state-to-state results of H + DH on ISTH potential energy surface are presented, and it can be deduced from the results that the ATA method can be used for the system with more than three atoms. Project supported by the National Natural Science Foundation of China (Grant No. 19774038) and Shandong Science Foundation (Grant No. Y96A08012).     

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.     

Random-phase approximation correlation methods for molecules and solids

Random-phase approximation (RPA) correlation methods based on Kohn–Sham density-functional theory and Hartree–Fock are derived using the adiabatic-connection fluctuation dissipation theorem. It is shown that the correlation energy within the adiabatic-connection fluctuation-dissipation theorem is exact in a Kohn–Sham framework while for Hartree–Fock reference states this is not the case. This shows that Kohn–Sham reference states are probably better suited to describe electron correlation for use in RPA methods than Hartree–Fock reference states. Both, Kohn–Sham and Hartree–Fock RPA methods are related to each other both by comparing the underlying correlation functionals and numerically through the comparison of total energies and reaction energies for a set of small organic molecules.     

D+HS反应的含时量子动力学研究

利用含时波包方法对D+HS交换和抽取通道进行量子动力学研究,动力学计算中所采用的势能面由高精度从头算能量点构建.在平动能0.0～2.0 eV区间内计算了反应物初始振转基态时的总反应几率和积分反应截面,并且计算了初始振动激发态对积分反应截面的影响.所有动力学计算均考虑了科里奥利耦合效应.在低平动能时抽取通道在反应中占主导地位,而交换通道在高平动能时占主导地位.在整个所研究的平能能区间内,反应物HS的振动激发对抽取和交换通道反应都有增强作用.     

关于三阶线性时变控制系统的稳定性

本文应用系统的分析理论讨论了三阶线性时受控制系统的稳定性、本文不以系统的系数矩阵的特征根均有负实部为条件．因此所得的结果对讨论某些实际问题是方便的、有效的。     

Classical and quantum kinetic equations with exact conservation laws

Stationary and dynamic properties of reduced density matrices can be determined from formal or approximate closures of an infinite hierarchy of equations. The local macroscopic conservation laws place weak but important constraints on the reduced density matrices which should be respected by any closure. For pairwise additive forces conditions on the closure of the one- and two-particle equations are obtained that preserve the exact functional dependence of the conserved densities and their fluxes on the reduced density matrices. To illustrate the nature of these conditions, a closure approximation suitable for a quantum gas is given, yielding an extension of the time-dependent Hartree-Fock equations for the dynamics of a nuclear fluid to include collisions.