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Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory

Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory

Tran, Fabien; Blaha, Peter

期刊名称The Journal of Physical Chemistry A
作者Tran, Fabien; Blaha, Peter
印刷ISSN1089-5639
电子ISSN1520-5215
文件大小329.80KB
发表时间2017-04-19
DOI10.1021/acs.jpca.7b02882

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