Small-Gap systems,dispersion,and Non-adiabatic dynamics

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

【摘要】

：

This presentation will focus on systems and properties considered hard or intractable with conventional electronic structure methods.In the first part,I will re

【作者】

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Filipp Furche Matthew M.Agee Alan K.Chan Guo P.Chen B.Sree Ganesh Brandon T.Krull Alexander Le Brian D.Nguyen Shane M.Parker Jordan C.Vincent Vamsee K.Voora Jason M.Yu

【机构】

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UniversityofCalifornia,Irvine,DepartmentofChemistry,1102NaturalSciencesⅡ,Irvine,CA92697-2025,USA

【出处】

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

【发表日期】

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2015年6期

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This presentation will focus on systems and properties considered hard or intractable with conventional electronic structure methods.In the first part,I will review recent progress in ground-state electronic structure methods for small-gap systems,such as metal clusters or open-shell d and f element complexes.

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Small-Gap systems,dispersion,and Non-adiabatic dynamics

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