| 变分法计算H_2~+的基态能级 |
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| 引用本文： | 吴俊,李桦,朱炯明.变分法计算H_2~+的基态能级[J].上海师范大学学报(自然科学版),2007,36(1):29-32. |
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| 作者姓名： | 吴俊 李桦 朱炯明 |
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| 作者单位： | 1. 上海师范大学,数理信息学院,上海,200234
2. 上海应用技术学院,数理部,上海,200235 |
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| 摘 要： | 介绍了采用全关联的Hylleraas坐标下的变分波函数法这一新的方法计算少体分子离子的能量本征值问题。并且将之应用到H2^＋基态能级的数值计算上．将计算所得的结果和用其他各种方法计算所得的结果相比较，表明变分法计算对于解决能量本征值问题是非常有效的．
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| 关 键 词： | 变分法计算 氢分子离子 基态能级 波函数 |
| 文章编号： | 23958176 |
| 修稿时间： | 09 3 2006 12:00AM |
Variational calculation on the ground-state energy of H2+ molecularion |
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| WU Jun,LI Hua,ZHU Jiong-ming.Variational calculation on the ground-state energy of H2+ molecularion[J].Journal of Shanghai Normal University(Natural Sciences),2007,36(1):29-32. |
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| Authors: | WU Jun LI Hua ZHU Jiong-ming |
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| Institution: | 1. Mathmatics and Sciences College, Shanghai Normal University, Shanghai 200234, China; 2. Department of mathematics and physics, Shanghai Institute of Technology, 200235 Shanghai, China |
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| Abstract: | A new method of calculating the energy eigenvalues of the few-body molecular ions,using variational wave functions in fully correlated Hylleraas coordinates,is introduced.Numerical result for the ground state energy of the hydrogen molecular ion H_2~+ is obtained,and is compared with the results obtained using various other methods.It shows that the variational calculation is a very good approach to solve the eigenvalue problems. |
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| Keywords: | variational calculation hydrogen molecular ion ground state energy wave function |
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