| BO分子电子结构的理论研究 |
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| 引用本文： | 陈自宽,熊烨.BO分子电子结构的理论研究[J].云南大学学报(自然科学版),1990,12(1):30-35. |
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| 作者姓名： | 陈自宽 熊烨 |
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| 作者单位： | 云南大学物理系
(陈自宽，熊烨)，云南大学物理系(林理忠) |
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| 基金项目： | 国家自然科学基金资助项目 |
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| 摘 要： | 本文采用量子化学从头计算方法,通过选取20个STO-4GD_2基函数,在IBM—PC微机上,首次计算出了BO分子X,A,B,C电子态的结构参数.并计得该分子α,β和γ带系的振子强度分别是0.0019,0.058和0.0057。
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| 关 键 词： | 分子结构 电子能态 结构参数 组态 振子强度 |
Theoretical Study for the Electronic structure of BO Molecule |
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| Chen Zikuan Xiong Ye Lin Lizhong.Theoretical Study for the Electronic structure of BO Molecule[J].Journal of Yunnan University(Natural Sciences),1990,12(1):30-35. |
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| Authors: | Chen Zikuan Xiong Ye Lin Lizhong |
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| Abstract: | By selecting 20 STO -4G Dz basis functions, the structure parameters of electronic states X,A,B, and C of BO molecule are worked out on the IBM-PC microcomputer with the ab initio method of Quantum Chemistry. The oscillators st rengthes of and band systems obtained by calculating are 0.0019, 0.058 and 0.0057, respectively, which were not revealed in literatures at home and abroad. |
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| Keywords: | BO molecular structure electran energy state structure parameter so nfiguration oscillator strength |
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