Finite differences in spin-resolved conceptual density functional theory

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：fox007138

【摘要】

：

Charge transfer processes are the driving force for many chemical phenomena.This motivates analysis of how molecular properties depend on the number of electron

【作者】

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R.A.Miranda-Quintana M.Franco-Pérez P.W.Aygers

【机构】

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LaboratoryofComputationalandTheoreticalChemistry,UniversityofHavana,Cuba;DepartmentofChemistryandChe

【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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Charge transfer processes are the driving force for many chemical phenomena.This motivates analysis of how molecular properties depend on the number of electrons:conceptual density functional theory(DFT)provides an interesting framework for this analysis[1].

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Finite differences in spin-resolved conceptual density functional theory

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