An accurate spectral method with arbitrarily large time step sizes

被引:3
作者
Chen, RQ [1 ]
Guo, H [1 ]
机构
[1] UNIV TOLEDO,DEPT CHEM,TOLEDO,OH 43606
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(96)00147-9
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We propose a new implementation of the spectral method based on the Crank-Nicholson scheme. Our approach introduces an effective system Hamiltonian that shares the same eigenstates with the original system. The eigenenergies of the effective system Hamiltonian are related to those of the original system in a simple analytical form. The exact and unconditionally convergent propagator for the effective system allows easy and accurate recovery of the high resolution energy spectra of the original system with arbitrarily large time step sizes. Numerical results are given for a Morse oscillator.
引用
收藏
页码:201 / 205
页数:5
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