A COMPARATIVE-STUDY OF TIME-DEPENDENT QUANTUM-MECHANICAL WAVE PACKET EVOLUTION METHODS

被引：72

作者：

TRUONG, TN

TANNER, JJ

BALA, P

MCCAMMON, JA

KOURI, DJ

LESYNG, B

HOFFMAN, DK

机构：

[1] UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204

[2] UNIV WARSAW,DEPT BIOPHYS,PL-02089 WARSAW,POLAND

[3] IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011

[4] IOWA STATE UNIV SCI & TECHNOL,AMES LAB,AMES,IA 50011

[5] NICHOLAS COPERNICUS UNIV,INST PHYS,PL-87100 TORUN,POLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1992年 / 96卷 / 03期

关键词：

D O I：

10.1063/1.462870

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 present a detailed comparison of the efficiency and accuracy of the second- and third-order split operator methods, a time dependent modified Cayley method, and the Chebychev polynomial expansion method for solving the time dependent Schrodinger equation in the one-dimensional double well potential energy function. We also examine the efficiency and accuracy of the split operator and modified Cayley methods for the imaginary time propagation.

引用

页码：2077 / 2084

页数：8

共 95 条

[51] QUANTUM EXACT 3-DIMENSIONAL STUDY OF THE PHOTODISSOCIATION OF THE OZONE MOLECULE [J].