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5. Multistate density functional theory for dynamics simulations of charge transfer processes

Multistate density functional theory for dynamics simulations of charge transfer processes

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

【摘 要】

：

A multistate density functional theory is presented for molecular dynamics simulation of electron and proton transfer reactions in condensed phases.

【作 者】

：

Jiali Gao 

【机 构】

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DepartmentofChemistry,UniversityofMinnesota,Minneapolis,USA&JilinUniversity,Changchun,China

【出 处】

：

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

【发表日期】

：

2015年6期

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A multistate density functional theory is presented for molecular dynamics simulation of electron and proton transfer reactions in condensed phases.

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