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5. The X1 family of methods that combines B3LYP with neural network corrections for an accurate yet eff

The X1 family of methods that combines B3LYP with neural network corrections for an accurate yet eff

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：wmxlg2008

【摘 要】

：

B3LYP is currently the most widely used density functional approximation,while the X1 family of methods [1-8],namely X1,X1s and X1se,is a set of neural network based methods that systematically correc

【作 者】

：

Jianming Wu Yuwei Zhou Xin Xu 

【机 构】

：

Collaborative Innovation Center of Chemistry for Energy Materials,Shanghai Key Laboratory of Molecul

【出 处】

：

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

【发表日期】

：

2015年5期

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B3LYP is currently the most widely used density functional approximation,while the X1 family of methods [1-8],namely X1,X1s and X1se,is a set of neural network based methods that systematically correct the B3LYP errors.

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