| Study on Pair Correlation Energies of Isoelectronic Systems F~-,HF and H_2F~+ |
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| 作者姓名： | 禚淑萍 韦吉崇 居冠之 |
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| 作者单位： | State Key Laboratory of Coordination Chemistry，State Key Laboratory of Coordination Chemistry，State Key Laboratory of Coordination Chemistry Department of Chemistry，Nanjing University，Nanjing，Jiangsu 210093，China，School of Chemical Engineering，Shandong University of Technology，Zibo，Shandong 255049，China，Department of Chemistry，Nanjing University，Nanjing，Jiangsu 210093，China，Department of Chemistry，Nanjing University，Nanjing，Jiangsu 210093，China |
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| 基金项目： | ProjectsupportedbytheNationalNaturalScienceFoundationofChina (Nos .2 9873 0 2 3,2 0 173 0 2 7) |
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| 摘 要： | IntroductionAsawell knownfact ,thecalculationofelectroncor relationenergyisabottleneckprobleminthecalculationsofmolecularpropertiesandchemicalreactionsinquantumchemistry .1Ithasattractedgreatattentionoftheoreticalchemists.NumerousdifferentmethodshavebeenusedtocalculatethecorrelationenergysinceL wdin2 givethedef initionofelectroncorrelationin 195 9.In 196 0s ,Sinanoˇglu3,4 definedtheexactelectronpaircorrelationen ergyanddevelopedmany electrontheoryofatomsandmoleculesinwhichthetotalcorrelation…
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Study on Pair Correlation Energies of Isoelectronic Systems F~-,HF and H_2F~+ |
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| ZHUO,Shu Ping a,b WEI,Ji Chong a JU,Guan Zhi,a aState Key Laboratory of Coordination Chemistry.Study on Pair Correlation Energies of Isoelectronic Systems F~-,HF and H_2F~+[J].Chinese Journal of Chemistry,2003(10). |
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| Authors: | ZHUO Shu Ping a b WEI Ji Chong a JU Guan Zhi a aState Key Laboratory of Coordination Chemistry |
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| Institution: | ZHUO,Shu Ping a,b WEI,Ji Chong a JU,Guan Zhi,a aState Key Laboratory of Coordination Chemistry,Department of Chemistry,Nanjing University,Nanjing,Jiangsu 210093,China bSchool of Chemical Engineering,Shandong University of Technology,Zibo,Shandong 255049,China |
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| Abstract: | |
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| Keywords: | intrapair and interpair correlation contribution of higher excitation pair correlation contribution chemical bonding effect |
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