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.
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页码：2077 / 2084
页数：8
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