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A Quick Estimate of the Correlation Energy for Alkanes
作者姓名:黎书华  李伟  马晶
作者单位:DepartmentofChemistry,InstituteofTheoreticalandComputationalChemistry,NanjingUniversity,Nanjing,Jiangsu210093,China
基金项目:ProjectsupportedbytheNationalNaturalScienceFoundationofChina (No .2 0 0 73 0 2 0 )
摘    要:

关 键 词:电子相关能  烷烃  耦合族理论  配对校正  轨道  分子能

A Quick Estimate of the Correlation Energy for Alkanes
LI,Shu-Hua LI,Wei MA,Jing.A Quick Estimate of the Correlation Energy for Alkanes[J].Chinese Journal of Chemistry,2003,21(11):1422-1429.
Authors:LI  Shu-Hua LI  Wei MA  Jing
Institution:LI,Shu-Hua LI,Wei MA,JingDepartment of Chemistry,Institute of Theoretical and Computational Chemistry,Nanjing University,Nanjing,Jiangsu 210093,China
Abstract:
Keywords:correlation energy  pair correlation  localized orbitals  coupled cluster theory  alkanes
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