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5. The integration approach at the second-order perturbation theory:Applications to ionization potentia

The integration approach at the second-order perturbation theory:Applications to ionization potentia

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：sgaini1532

【摘 要】

：

An integration approach is developed to calculate ionization potentials(IPs),and electron affinities(EAs),which is an extension of the D-ΔMBPT(2) method [1].

【作 者】

：

Neil Qiang Su Xin Xu 

【机 构】

：

Collaborative Innovation Center of Chemistry for Energy Materials,Shanghai Key Laboratory of Molecul

【出 处】

：

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

【发表日期】

：

2015年5期

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An integration approach is developed to calculate ionization potentials(IPs),and electron affinities(EAs),which is an extension of the D-ΔMBPT(2) method [1].

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