Localization of molecular orbitals:from fragments to molecule

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：littles721

【摘要】

：

Localized molecular orbitals(LMO) not only serve as an important bridge between chemical intuition and molecular wave functions but also can be employed to reduce the computational cost of many-body m

【作者】

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Z.D.Li H.Y.Li B.B.Suo W.J.Liu

【机构】

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College of Chemistry and Molecular Engineering,Peking University,P.R.China

【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5期

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