| H2+键长和基态能量的再计算 |
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| 引用本文： | 李旭,胡先权. H2+键长和基态能量的再计算[J]. 湖南文理学院学报(自然科学版), 2002, 14(3): 36-38 |
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| 作者姓名： | 李旭 胡先权 |
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| 作者单位： | 重庆师范学院物理学与信息技术系，重庆师范学院物理学与信息技术系 重庆，400047，重庆，400047 |
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| 基金项目： | supportedbyChongqingEducationCommittee(GrantNo :2 0 0 10 2 74) |
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| 摘 要： | 用Ritz变分法求出了氢分子离子H2 + 基态能量附近的能量随变分参数和分子键长变化的数值关系 ,并用抛物线插值法获得了H2 + 键长和基态能量的值及其计算公式 ,比文献 [1,2 ]更接近于实验值。
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| 关 键 词： | Ritz变分法 抛物线插值法 H2+ 键长 基态能量 |
The Repeated Computation of the Bond Length and Ground- State Energy for H2 + |
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| LI Xu HU Xian-quan. The Repeated Computation of the Bond Length and Ground- State Energy for H2 +[J]. Journal of Hunan University of Arts and Science:Natural Science Edition, 2002, 14(3): 36-38 |
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| Authors: | LI Xu HU Xian-quan |
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| Abstract: | Ritz variation method was used to find the numerical relation between the energy near the ground-state of the hydrogen molecular ion H 2 + and the changes of the variation parameter and the bond length,the computation formula of bond length and ground-state energy for H 2 + was also obtained by means of the method of parabolic interpolation.The computation results were much closer to experimental values than those of Refs.'s. |
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| Keywords: | ritz variation method parabolic interpolation H 2 + bond length ground-state energy |
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