强磁场中氢负离子的基态与低激发态

强磁场中氢负离子的基态与低激发态 Ground and Excited State of Hydrogen Ion in Magnetic Fields 唐纯明 TANG Chunming 1 first-author 乔豪学 QIAO Haoxue 1 武汉大学物理科学与技术学院 武汉大学物理科学与技术学院 School of the Physics and Technology,Wuhan University School of the Physics and Technology,Wuhan University 在球坐标系下采用组态相互作用方法,计算了磁场中氢负离子基态与低激发态的能量和结合能.在径向采用高阶B-spline基组,有效地处理了电子关联;角向采用超球谐函数基组,简化了矩阵元角度部分的计算,使计算效率得到了大幅度的提高.用上述方法计算的磁场中氢负离子基态与低激发态能量的高精度结果与已有理论和计算数据作了详细的比较.结果表明,此方法适用于磁场为β=0.000 1 1 .0（此处β=1.0时,对应磁场为4.710 8×105T）范围内的精确计算. The energy and the electron detachment energy of ground and excited state of the hydrogen ion in magnetic fields have been calculated using a full configuration interaction method.The radial wave-functions are expanded in terms of B-spline functions,which can solve the problem of electronic correlation efficiently.The angular wave-functions are expanded in hyperspherical harmonies,which can simplify the calculation and make it possible to carry out the calculation in personal computers.The results by using this method have been compared with those of other literatures and previous calculations,it presents that our method is suitable for magnetic field range β=0.000 1-1.0. 氢负离子 B-spline基 结合能 激发态 hydrogen ion B-splines detachment energy excited state 10.14188/j.1671-8836.2011.04.014 O562.1 国家自然科学基金资助项目（10874133） 2011-04-01 2021-04-01 4 57