SHIFTED-UPDATE ROTATION - SIMPLE INTEGRATION OF THE MANY-LEVEL SCHRODINGER-EQUATION TO LONG TIMES

被引：30

作者：

BIGWOOD, R ^{[1
]}

GRUEBELE, M ^{[1
]}

机构：

[1] UNIV ILLINOIS,BECKMAN INST ADV SCI & TECHNOL,URBANA,IL 61801

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 233卷 / 04期

关键词：

D O I：

10.1016/0009-2614(94)01474-A

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：

Shifted-update direct propagation algorithms are used to calculate the survival probabilities and spectra of a matrix-sealing model for vibrational energy redistribution with 70 000 active states and nine degrees of freedom. A stabilized first-order method, shifted-update rotation has a simple geometrical interpretation, yet requires no storage overhead. Of the higher-order methods, only a third-order method executes faster in many cases, at the cost of stability and memory overhead. We compare shifted-update methods to others applicable to sparse systems.

引用

页码：383 / 391

页数：9

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