Core electron ionization and excitation energies using a unitary group adapted multi-reference coupl

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：nie492195407

【摘要】

：

In this poster,we use one of our recently developed spin-free multi-reference coupled cluster(MRCC) formalisms for studying electronic energies of excited and ionized states involving core electrons.

【作者】

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S.Sen A.Shee D.Mukherjee

【机构】

：

Raman Centre for Atomic,Molecular and Optical Sciences,Indian Association for the Cultivation of Sci

【出处】

：

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

【发表日期】

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2015年5期

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In this poster,we use one of our recently developed spin-free multi-reference coupled cluster(MRCC) formalisms for studying electronic energies of excited and ionized states involving core electrons.

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Core electron ionization and excitation energies using a unitary group adapted multi-reference coupl

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