Rapid Iterative Diagonalization of Ill-conditioned Eigenvalue Problems in Electronic Structure Calcu

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：shijun3541

【摘要】

：

There has been substantial effort to develop ab initio electronic structure calculations that use localized basis functions for much fewer degrees of freedom.

【作者】

：

CAI YUNFENG Bai Zhaojun Pask John Sukumar N

【机构】

：

Peking Univ Univ.of California,Davis

【出处】

：

第八届工业与应用数学国际大会

【发表日期】

：

2015年5期

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　　There has been substantial effort to develop ab initio electronic structure calculations that use localized basis functions for much fewer degrees of freedom.

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Rapid Iterative Diagonalization of Ill-conditioned Eigenvalue Problems in Electronic Structure Calcu

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