Compressed Representation of Kohn-Sham Orbitals via Selected Columns of the Density Matrix

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：maodaiwan

【摘要】

：

　　Given a set of Kohn-Sham orbitals from an insulating system,it is often desirable to build a set of localized basis functions for the associated subspace.In

【作者】

：

DamleAnil[1]LinLin[2]YINGLEXING[1]

【机构】

：

Stanford Univ.

【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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　　Given a set of Kohn-Sham orbitals from an insulating system,it is often desirable to build a set of localized basis functions for the associated subspace.In this talk we present a simple,robust,efficient,and parallelizable method to construct a set of(optionally orthogonal)localized basis functions.

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Compressed Representation of Kohn-Sham Orbitals via Selected Columns of the Density Matrix

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