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5. General implementation of the resolution-of-the-identity and Cholesky representations of electron re

General implementation of the resolution-of-the-identity and Cholesky representations of electron re

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

【摘 要】

：

We present a general implementation of the resolution-of-the-identity(RI) and Cholesky decomposition(CD) representations of electron repulsion integrals within

【作 者】

：

Xintian Feng Anna I.Krylov 

【机 构】

：

DepartmentofChemistry,UniversityofSouthernCalifornia,LosAngeles,California90089-0482,USA

【出 处】

：

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

We present a general implementation of the resolution-of-the-identity(RI) and Cholesky decomposition(CD) representations of electron repulsion integrals within the coupled-cluster with single and double substitutions(CCSD) and equation-of-motion(EOM) family of methods.

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