A Parallel Orbital-Updating Approach for Electronic Structure Calculations

来源 :第八届工业与应用数学国际大会 | 被引量 : 0次 | 上传用户：blueskyjava

【摘要】

：

　　In this talk,we will talk about an orbital iteration based parallel approach for electronic structure calculations.With this new approach,the solution of th

【作者】

：

XiaoyingDai;

【机构】

：

Acad.of Mathematics & Sys.Sci.,Chinese Acad.of Sci.

【出处】

：

第八届工业与应用数学国际大会

【发表日期】

：

2015年期

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　　In this talk,we will talk about an orbital iteration based parallel approach for electronic structure calculations.With this new approach,the solution of the single-particle equation is reduced to some solutions of independent linear algebraic systems and a small scale algebraic problem.

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A Parallel Orbital-Updating Approach for Electronic Structure Calculations

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