北京科技大学主页平台管理系统 Liujunzi--Home-- Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties

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Name (English):Liujunzi

Name (Pinyin):liujunzi

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School/Department:化学与生物工程学院

Professional Title:Associate Professor

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Physical Chemistry

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Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties

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