原子与分子物理学报, 2005, 22 (3): 511, 网络出版: 2006-06-11
Li2基态结合能的MACQM计算
The MACQM theoretical calculation of binding energy of ground state of Li2
摘要
本文采用改进的排列通道量子力学方法(MACQM),对Li2基态势能曲线进行了计算,结果表明:在核间距R=5.05a0处,能量有极小值-14.88937a.u,由此得到Li2基态结合能为0.0333a.u,所得结果与实验值符合得很好.
Abstract
According to the method of Modified Arrange Channel Quantum Mechanics (MACQM), the potential curve of the ground state of Li2 is calculated. The re sult of the calculation shows that the energy curve has a minimal energy -14.8 8 937a.u at R=5.05a_0. The binding energy of Li2(X 1∑+_g) calculated is 0.0333a.u. The result agrees well with the experimental result .
杨建会, 李萍, 张建平, 杨晓占, 戴松辉. Li2基态结合能的MACQM计算[J]. 原子与分子物理学报, 2005, 22(3): 511. 杨建会, 李萍, 张建平, 杨晓占, 戴松辉. The MACQM theoretical calculation of binding energy of ground state of Li2[J]. Journal of Atomic and Molecular Physics, 2005, 22(3): 511.