Discrete Variable Representations in Quantum Dynamics
Discrete Variable Representations in Quantum Dynamics
复制标题
量子动力学中的离散变量表示
DOI：
10.1007/978-1-4899-2326-4_14
复制
发表时间：
1992
期刊：
影响因子：
--
通讯作者：
J. Light
中科院分区：
文献类型：
--
作者：
J. Light
给出了离散变量表示（DVR）的推导，重点是形式属性和与经典正交多项式的关系。这些“高斯求积”DVR 与最近提出的几种不同的 DVR 进行了比较。最后，针对三原子分子（在本例中为 H2O）大幅运动的量子解，提出了一些注意事项和简要的精度比较。
A derivation of discrete variable representations (DVR’s) is given, with emphasis on formal properties and relations to the classical orthogonal polynomials. These “Gaussian quadrature” DVR’s are compared with several different DVR’s proposed recently. Finally, some cautions and brief comparisons of accuracy are noted for quantum solutions for large amplitude motions of triatomic molecules (H2O in this case).