用B-splines技术计算超强平行外磁场中氢分子离子的能级

计算物理 ›› 2010, Vol. 27 ›› Issue (3): 451-456.

用B-splines技术计算超强平行外磁场中氢分子离子的能级

惠萍

广东第二师范学院物理系, 广东广州 510303

收稿日期:2009-03-11 修回日期:2009-07-19 出版日期:2010-05-25 发布日期:2010-05-25
作者简介:惠萍(1962-),女,吉林通化,教授,主要从事凝聚态物理研究.
基金资助:
国家自然科学基金(10874122);广东省自然科学基金(8151030301);广东教育学院教授博士专项经费资助项目

Hydrogen Molecular Ion Energy Levels in Superstrong External Parallel Magnetic Field with B-spline Technology

HUI Ping

Department of Physics, Guangdong University of Education, Guangzhou 510303, China

Received:2009-03-11 Revised:2009-07-19 Online:2010-05-25 Published:2010-05-25

摘要/Abstract

摘要： 考虑两核之间的相互作用,采用单中心展开方法和B-splines技术构建氢分子离子的径向和角向波函数,计算超强平行外磁场中氢分子离子的能级E_b(m=0,-1,-2,-3,-4,-5)和两核间的平衡距离2R.计算中,磁场强度从2.35×10⁶T变到2.35×10⁸T.对比绝热变分近似计算结果,计算精度提高的范围在0.00015 Ry~0.0488 Ry之间;对比变分近似计算结果,计算精度提高的范围在0.0029 Ry~0.0257 Ry之间.这些计算结果表明,用二重B-splines基函数展开方法使氢分子离子的波函数的完备性更好,并能得到比绝热变分近似和绝热近似方法更高的计算精度.

关键词: 氢分子离子, B-spline技术, 超强平行外磁场, 绝热变分近似

Abstract: With interaction between atomic nucleus in a hydrogen molecular ion,one-center expansion method and B-splines basis technology are used to build radial wave function and angular wave function of a hydrogen molecular ion.Energy levels E_b (m=0,-1,-2,-3,-4,-5) and equilibrium internuclear separations 2R are calculated in superstrong external parallel magnetic fields.Strength of magnetic field changes from 2.35×10⁶ T to 2.35×10⁸ T.Compared with results by adiabatic variational approximation,the precision increases to a range between 0.00015 Ry and 0.0488 Ry;Compared with results by variational approximation,ours increases to a range between 0.0029 Ry and 0.0257 Ry.It shows that the duplicate B-splines basis function expansion method can get better completeness of wave functions and higher calculation precisions.

Key words: hydrogen molecular ion, B-splines technology, superstrong external parallel magnetic field, adiabatic variational approximation

中图分类号:

O562.1

惠萍. 用B-splines技术计算超强平行外磁场中氢分子离子的能级[J]. 计算物理, 2010, 27(3): 451-456.

HUI Ping. Hydrogen Molecular Ion Energy Levels in Superstrong External Parallel Magnetic Field with B-spline Technology[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2010, 27(3): 451-456.