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5. First-order one-electron properties in the coupled cluster singles and doubles(CCSD)model within div

First-order one-electron properties in the coupled cluster singles and doubles(CCSD)model within div

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：luocai1982

【摘 要】

：

　　The formulation and implementation of the first-ordcr onc-clcctron propertics in the coupled cluster singles and doubles(CCSD)model[1] within divide-expand-

【作 者】

：

Dmytro Bykov Patrjck Ettenhuber Kasper Kristensen Pablo Baudin Poul J(o)rgensen 

【机 构】

：

qLEAP Center for Theoretical Chemistry,Department of Chemistry,Aarhus University,Gustav Wieds Vej 1O

【出 处】

：

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

【发表日期】

：

2015年期

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论文部分内容阅读

　　The formulation and implementation of the first-ordcr onc-clcctron propertics in the coupled cluster singles and doubles(CCSD)model[1] within divide-expand-consolidate(DLC)[2] scheme are presented.

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