| 原子和离子的f^k与g^k的计算方法 |
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| 引用本文： | 史桂珍,侯士法.原子和离子的f^k与g^k的计算方法[J].光谱学与光谱分析,1994,14(2):7-12. |
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| 作者姓名： | 史桂珍 侯士法 |
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| 作者单位： | 中国科学院长春应用化学研究所，承德石油高等技术专科学校 |
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| 摘 要： | 本文给出了原子和离子能量表达式中的库仑积分与交换积系数ｆ＾ｋ，ｇ＾ｋ的计算方法，同时给出了计算中所涉及的Ｒａｃａｈ系数，Ｕ＾（＾Ｋ＾），Ｖ＾（＾Ｋ＾）和Ｃ＾（＾Ｋ＾）矩阵等光谱参量的计算方法，用ＦＯＲＴＲＡＮⅣ语言编写了关于ｆ＾ｋ和ｇ＾ｋ的计算机程序，只要输入与光谱项有关的量子数，即可迅速得到相应的ｋ＾ｆ，ｇ＾ｋ值，避免了烦琐的人工推算。
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| 关 键 词： | 库仑积分 交换积分 系数 原子 离子 |
METHODS FOR CALCULATING fk AND gk OF ATOMS AND IONS |
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| SHI Guizhen, WANG Chunyan, WANG Shubin and ZHOU Dafan Changchun Institute of Applied Chemistry,Academia Sinica, Changchun HOU ShifaChengde Petroleum College, Chengde.METHODS FOR CALCULATING fk AND gk OF ATOMS AND IONS[J].Spectroscopy and Spectral Analysis,1994,14(2):7-12. |
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| Authors: | SHI Guizhen WANG Chunyan WANG Shubin and ZHOU Dafan Changchun Institute of Applied Chemistry Academia Sinica Changchun HOU ShifaChengde Petroleum College Chengde |
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| Institution: | SHI Guizhen, WANG Chunyan, WANG Shubin and ZHOU Dafan Changchun Institute of Applied Chemistry,Academia Sinica,130022 Changchun HOU ShifaChengde Petroleum College,067000 Chengde |
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| Abstract: | This paper presents methods for calculating coefficients fk and gk of the Coulomb and exchange integrals in energy expressions for atoms and ions, as well as methods for calculating spectral parameters concerned such as Racah coefficient, matrix elements U(k),V(lk), C(k) etc.. Programming language used is FORTRAN IV. Once quantum numbers related to spectral terms are input, the corresponding fk and gk values can be obtained quickly, thus overelaborate manual calculation is avoided. |
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| Keywords: | Atomic structure Coulomb integral coefficient Exchange integral coefficient Racah coefficient Spectral parameter |
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