Perturbative triples correction for explicitly correlated Mukherjee's state-specific coupled cl

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：zhihuan110

【摘要】

：

This paper reports incorporation of the perturbative triples correction within the explicitly correlated Mukherjees multireference coupled cluster method using the SP ansatz.

【作者】

：

Stanislav Ked(z)uch Ond(r)ej Demel Jozef Noga Ji(r)í Pittner

【机构】

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Institute of Inorganic Chemistry,Slovak Academy of Sciences,Bratislava,Slovakia;Faculty of Natural S

【出处】

：

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

【发表日期】

：

2015年5期

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This paper reports incorporation of the perturbative triples correction within the explicitly correlated Mukherjees multireference coupled cluster method using the SP ansatz.

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Perturbative triples correction for explicitly correlated Mukherjee's state-specific coupled cl

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