| CALCULATIONS OF PHOTOELECTRON SPECTRA OF THE GROUP IV HALIDES BY SCF-X_α-SW METHOD |
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| 引用本文： | 祝继康,李笃,李俊清,潘毓刚.CALCULATIONS OF PHOTOELECTRON SPECTRA OF THE GROUP IV HALIDES BY SCF-X_α-SW METHOD[J].中国科学B辑(英文版),1985(12). |
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| 作者姓名： | 祝继康 李笃 李俊清 潘毓刚 |
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| 作者单位： | Anhui Institute of Optics and Fine Mechanics，Academia Sinica，Hefei，Department of Chemistry，Lanzhou University，Department of Chemistry，University of Science and Technology of China，Hefei，Department of Chemistry，Boston College，USA |
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| 摘 要： | Photoelectron spectra of twenty-nine kinds of group IV halides which include CH_nX_(4-n) (n=0-3, X=F, Cl, Br,I), CFCl_3, CFBr_3,CClF_3, CF_2Cl_2,CF_2Br_2, SiF_4, GeF_4 and AX_4 (A =Si, Ge, Sn, X=Cl, Br) have been calculated by SCF-X_a-SW method and most of the calculations aro reported for the first time.The radius reduction factors have been defined and chosen carefully and the calculated results are in good quantitative agreement with experi-
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