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5. A Parallel Orbital-updating Based Optimization Approach for Electronic Structure Calculations

A Parallel Orbital-updating Based Optimization Approach for Electronic Structure Calculations

来源 :Workshop on "Multiscale Modeling and Analysis in Materials S | 被引量 : 0次 | 上传用户：ok524500

【摘 要】

：

In this presentation,we will talk about a parallel orbital based optimization method for electronic structure calculations.This approach is a generalization of

【作 者】

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Aihui Zhou 

【机 构】

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LSEC,InstituteofComputationalMathematicsandScientific/EngineeringComputing,ChineseAcademyofSciences

【出 处】

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Workshop on "Multiscale Modeling and Analysis in Materials S

【发表日期】

：

2015年8期

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In this presentation,we will talk about a parallel orbital based optimization method for electronic structure calculations.This approach is a generalization of the parallel orbital-updating approach for solving the single-particle nonlinear eigenvalue problems to the associated energy minimization problems.

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