Efficient implementation of local excitation approximation for treating excited states of molecules

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

【摘要】

：

An efficient implementation of the local excitation approximation(LEA) of timedependent density functional theory(TDDFT)or time-dependent Hartree-Fock,(TDHF)(or configuration interaction singles,CIS)

【作者】

：

C.Y.Zhang D.D.Yuan Y.Guo S.H.Li

【机构】

：

School of Chemistry and Chemical Engineering,Key Laboratory of Mesoscopic Chemistry of Ministry of E

【出处】

：

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

【发表日期】

：

2015年5期

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An efficient implementation of the local excitation approximation(LEA) of timedependent density functional theory(TDDFT)or time-dependent Hartree-Fock,(TDHF)(or configuration interaction singles,CIS) method has been developed in this work.

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Efficient implementation of local excitation approximation for treating excited states of molecules

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