原子与分子物理学报2012，Vol.29Issue(2)：205-210,6.DOI:103969/j.issn.1000-0364.2012.02.004
用B样条函数计算氢分子离子的能级和波函数
Calculation of energy levels and wavefunctions of hydrogen molecular ion using B-splines function
摘要
Abstract
Energy levels and wavefunctions of the ground state and the first excited state of hydrogen molecular ion are calculated by solving stationary Schr8dinger equation with B-splines functions. By adopting nuclear positions as knots of B-splines basis, high accurancy of energy levels of the ground state and the first excited state for hydrogen molecular ion can be reached even for the larger internuclear separations , and our / dependent radial wavefunctions of the ground state are in a good agreement with those computated from GAUSSIAN chemistry software.关键词
B样条函数/定态薛定谔方程/氢分子离子的能级和波函数Key words
B-splines function/stationary SchrSdinger equation/energy levels and wavefunctions of hy drogen molecular ion分类
数理科学引用本文复制引用
周效信,赵松峰,李伟,李晓娇..用B样条函数计算氢分子离子的能级和波函数[J].原子与分子物理学报,2012,29(2):205-210,6.基金项目
国家自然科学基金(11044007,11164025,11064013) （11044007,11164025,11064013）
高等学校博士学科点专项科研基金(20096203110001,20116203120001) （20096203110001,20116203120001）
西北师范大学创新项目(NWNU-KJCXGC-03-62,NWNU-KJCXGC-03-70) （NWNU-KJCXGC-03-62,NWNU-KJCXGC-03-70）
