Linear scaling explicitly correlated methods for large systems

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：yulinfeng93

【摘要】

：

The generalized energy-based fragmentation(GEBF) approach[1] has been implemented for the explicitly correlated second-order M(o)ller-Plesset perturbation theory F12(MP2-F12) method,coupled-cluster wi

【作者】

：

Wei Li

【机构】

：

Institute of Theoretical and Computational Chemistry,School of Chemistry and Chemical Engineering,Na

【出处】

：

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

【发表日期】

：

2015年5期

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