Selected columns of the density matrix for compressing the Kohn-Sham orbitals

来源 :Workshop on "Multiscale Modeling and Analysis in Materials S | 被引量 : 0次 | 上传用户：thonny007

【摘要】

：

Given a set of Kohn-Sham orbitals from an insulating system,we present a simple,robust,efficient and highly parallelizable method to construct a set of,optional

【作者】

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Lin Lin

【机构】

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UniversityofCalifornia,Berkeley

【出处】

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Workshop on "Multiscale Modeling and Analysis in Materials S

【发表日期】

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2015年8期

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Given a set of Kohn-Sham orbitals from an insulating system,we present a simple,robust,efficient and highly parallelizable method to construct a set of,optionally orthogonal,localized basis functions for the associated subspace.

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Selected columns of the density matrix for compressing the Kohn-Sham orbitals

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