PARALLELIZATION OF MOLECULAR ELECTRONIC-STRUCTURE CALCULATION

被引：0
|
作者：
BHUSARI, AD
BHATE, VV
PAL, S
机构：
来源：
CURRENT SCIENCE | 1992年 / 62卷 / 03期
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暂无
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
Electronic-structure calculations are useful for understanding atomic and molecular processes. Here we present a parallel ab initio algorithm developed for the preliminary electronic-structure program with special emphasis on four-index transformation for the transputers at the Centre for Development of Advanced Computing (C-DAC) in Pune. We also present results obtained on a four-node machine.
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页码：293 / 297
页数：5
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