MASSIVELY PARALLEL HIGH-ENERGY TIME-DEPENDENT WAVE-PACKET CALCULATIONS

被引：8

作者：

CHASMAN, D ^{[1
]}

SILBEY, RJ ^{[1
]}

EISENBERG, M ^{[1
]}

机构：

[1] MIT,DEPT ELECT ENGN & COMP SCI,CAMBRIDGE,MA 02139

来源：

THEORETICA CHIMICA ACTA | 1991年 / 79卷 / 3-4期

关键词：

WAVE PACKETS; QUANTUM DYNAMICS; PARALLEL COMPUTING;

D O I：

10.1007/BF01113689

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：

The exact solution of the time-dependent Schrodinger equation is obtained using a parallel implementation of the standard grid techniques. Most of the operations involved in this calculation may be executed concurrently for each of the grid points. For the few operations which may not be executed concurrently, we have implemented parallel algorithms. In our two-dimensional implementation on the Connection Machine, we have obtained optimal speed-up - that is, by using N processors we achieve a speed-up which is proportional to N. In addition to the discussion of our 2-dimensional implementation, we shall discuss our proposed 3-dimensional implementation of these grid techniques.

引用

页码：175 / 182

页数：8

共 7 条

[1] PHOTOABSORPTION AND PHOTOEMISSION OF OZONE IN THE HARTLEY BAND [J].