H2+ ion in a strong magnetic field: Lowest excited states
H2+ ion in a strong magnetic field: Lowest excited states
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DOI：
10.1103/physreva.69.053413
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发表时间：
2003-10
影响因子：
2.9
通讯作者：
A. Turbiner;J. Vieyra
中科院分区：
文献类型：
--
作者：
A. Turbiner;J. Vieyra
作为我们之前工作的延续[Phys。 Rev. A 68, 012504 (2003)]对最低 $1{\ensuremath{\sigma}}_{g}$ 和低位兴奋 $1{\ensuremath{\sigma}}_{u}$ 的准确研究， $2{\ensuremath{\sigma}}_{g}$, $1{\ensuremath{\pi}}_{u,g}$, $1{\ensuremath{\delta}}_{g,u}$ 分子离子的电子态 $\mathrm{H}_{2}{}^{+}$ 已生成。由于分子轴与磁场方向一致的平行构型是最佳的，因此这是唯一考虑的构型。采用变分法，对不同磁场使用相同的试函数。磁场范围从 ${10}^{9}$ 到 $4.414\ifmmode\times\else\texttimes\fi{}{10}^{13}\phantom{\rule{0.3em}{0ex}}\mathrm{G}$，其中非相对论考虑是合理的。特别注意 $1{\ensuremath{\sigma}}_{u}$ 状态，该状态被研究为任意倾向。对于这种状态，使用单参数矢量势，然后对其进行变分优化。
As a continuation of our previous work [Phys. Rev. A 68, 012504 (2003)] an accurate study of the lowest $1{\ensuremath{\sigma}}_{g}$ and the low-lying excited $1{\ensuremath{\sigma}}_{u}$, $2{\ensuremath{\sigma}}_{g}$, $1{\ensuremath{\pi}}_{u,g}$, $1{\ensuremath{\delta}}_{g,u}$ electronic states of the molecular ion $\mathrm{H}_{2}{}^{+}$ is made. Since the parallel configuration where the molecular axis coincides with the magnetic field direction is optimal, this is the only configuration which is considered. The variational method is applied and the same trial function is used for different magnetic fields. The magnetic field ranges from ${10}^{9}$ to $4.414\ifmmode\times\else\texttimes\fi{}{10}^{13}\phantom{\rule{0.3em}{0ex}}\mathrm{G}$, where nonrelativistic considerations are justified. Particular attention is paid to the $1{\ensuremath{\sigma}}_{u}$ state which was studied for an arbitrary inclination. For this state a one-parameter vector potential is used which is then variationally optimized.