| 超球坐标下Li原子^4S态Schrodinger方程的直接解 |
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| 引用本文： | 王沂轩,邓从豪.超球坐标下Li原子^4S态Schrodinger方程的直接解[J].化学学报,1996,54(5):417-421. |
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| 作者姓名： | 王沂轩 邓从豪 |
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| 作者单位： | 山东大学理论化学研究室 |
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| 摘 要： | 以九维超球谐为投影函数, 构造置换群S3一维不可约表示的全反称基函数。应用HHGLF和CFHHGLF方法直接求解Li原子^4S态的Schrodinger方程。由HHGLF方法得到的本征能量与精确变分数值相差较远; CFHHGLF方法给出了与变分值相近的结果。
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| 关 键 词： | 锂原子 超球坐标 超球谐 广义LAGUERRE函数 |
Direct solution of the Schrodinger equation for the ^4S states of lithium atom in hyperspherical coordinates |
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| WANG YIXUAN,DENG CONGHAO.Direct solution of the Schrodinger equation for the ^4S states of lithium atom in hyperspherical coordinates[J].Acta Chimica Sinica,1996,54(5):417-421. |
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| Authors: | WANG YIXUAN DENG CONGHAO |
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| Abstract: | The total antisymmetric basis functions are constructed for irreducible representation of S3 permutation group from nine- dimensional hyperspherical harmonics. We use the HHGLF and CFHHGLF method to directly solve the Schrodinger equation for ^4S states of lithium atom, respectively. The eigenenergy obtained by the HHGLF is far from the variational value, however, that obtained by the CFHHGLF is near the variational one. |
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| Keywords: | LITHIUM ATOM |
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