用B-splines技术计算超强平行外磁场中氢分子离子的能级  

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

作　　者：惠萍[1] 

机构地区：[1]广东第二师范学院物理系,广东广州510303

出　　处：《计算物理》2010年第3期451-456,共6页Chinese Journal of Computational Physics

基　　金：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

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Eb(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0.00015Ry～0.0488Ry之间;对比变分近似计算结果,计算精度提高的范围在0.0029Ry～0.0257Ry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.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 Eb （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 0.000 15Ry and 0.048 8Ry;Compared with results by variational approximation,ours increases to a range between 0.0029Ry and 0.0257Ry.It shows that the duplicate B-splines basis function expansion method can get better completeness of wave functions and higher calculation precisions.

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 

分 类 号：O562.1[理学—原子与分子物理]