量子系统保结构计算新进展  

NEW PROGRESS OF STRUCTURE-PRESERVING COMPUTATION FOR QUANTUM SYSTEM

作　　者：刘学深[1] 丁培柱[1] 

机构地区：[1]吉林大学原子与分子物理研究所,长春130012

出　　处：《物理学进展》2004年第1期47-89,共43页Progress In Physics

基　　金：国家自然科学基金(10171039;10074019);国家重点基础研究专项经费(G1999032804)资助

摘　　要：　本文主要介绍量子系统保结构计算最新进展情况,分以下几部分内容:哈密顿系统的辛算法、适合于量子系统的哈密顿量显含时间的辛算法、A2B模型分子和双原子分子系统的经典轨迹辛算法计算、双原子分子CO在激光场中的经典轨迹的辛算法计算及其振动和解离、定态Schr dinger方程的辛形式及求解定态Schr dinger方程本征值问题的辛 打靶法、含时Schr dinger方程的保结构算法及其在激光原子物理中的应用、伪分立态模型、强激光与原子相互作用的渐近边界条件、"非齐线性正则方程"的辛算法及其在计算强激光场中一维原子的多光子电离和高次谐波发射中的应用以及Heisenberg方程的保结构计算等等。In this paper we mainly introduce new progress of structure-preserving computation for quantum system including the following sections: Symplectic algorithm for Hamiltonian system, Symplectic scheme tailored to the 'time'-dependent Hamiltonian function for quantum system, Classical trajectories of model molecule A_2B and diatomic system calculated by mean of symplectic, Classical trajectories of diatomic system in intense laser field calculated by mean of symplectic, Symplectic form of time-independent Schrdinger equation and Symplectic?scheme shooting method for solving the eigenvalue of time-independent Schrdinger equation, Structure-preserving algorithm of time-dependent Schrdinger equation and its application in laser-atom interaction, Pseudo discrete state approximation, Asymptotic boundary condition, Symplectic algorithm of inhomogeneous linear equation and its application in computing multi-photon ionization rate and high-order harmonic generation of laser-atom interaction, Computation of quantum system by matrix symplectic scheme in Heisenberg picture.

关 键 词：量子系统 保结构算法 分子系统 经典轨迹 辛-打靶法 渐近边界条件 哈密顿量 薛定谔方程 

分 类 号：O562[理学—原子与分子物理]