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5. Localized Resolution-of-identity Approach to Correlated Methods under Periodic Boundary Condition

Localized Resolution-of-identity Approach to Correlated Methods under Periodic Boundary Condition

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：a170911

【摘 要】

：

　　The implementation of correlated methods with numerical atomic orbitals(NAO)for infinite periodic systems is challenging.With a recently developed resolutio

【作 者】

：

RenXinguo; 

【机 构】

：

Univ.of Sci.& Tech.of China

【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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论文部分内容阅读

　　The implementation of correlated methods with numerical atomic orbitals(NAO)for infinite periodic systems is challenging.With a recently developed resolution-of-identity technique,we implemented the random-phase approximation and the GW method in the NAO-based FHI-aims code.

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