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5. Recent advances on the XYG3-type of doubly hybrid density functionals

Recent advances on the XYG3-type of doubly hybrid density functionals

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：qxw4721

【摘 要】

：

Doubly hybrid(DH) functionals present a new class of density functionals,which enfold the non-local orbital-dependent components not only in the exchange part,b

【作 者】

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X.Xu 

【机 构】

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CollaborativeInnovationCenterofChemistryforEnergyMaterials,MOELaboratoryforComputationalPhysicalScie

【出 处】

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The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年6期

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论文部分内容阅读

Doubly hybrid(DH) functionals present a new class of density functionals,which enfold the non-local orbital-dependent components not only in the exchange part,but also in the correlation part.

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