论文标题
通过迭代方法，氢分子离子的狄拉克方程的高精度溶液
High-precision solution of the Dirac Equation for the hydrogen molecular ion by an iterative method
论文作者
论文摘要
H $ _2^+$的DIRAC方程使用Kutzelnigg [Z.物理。 11，15（1989]。在新引入的动力学平衡的指数基集中扩展了四组分的波功能。基于$ 10^{-20} $的基本相对论能量是获得了几个数量级的改进，并表现出了与成果相互融合的效果，这是良好的相互依赖的效果。迈向氢分子离子一环自能校正的非扰动计算的第一步。
The Dirac equation for H$_2^+$ is solved numerically using an iterative method proposed by Kutzelnigg [Z. Phys. 11, 15 (1989]. The four-component wavefunction is expanded in a newly introduced kinetically balanced exponential basis set. The ground-state relativistic energy is obtained with an accuracy of $10^{-20}$, which represents an improvement by several orders of magnitude, and is shown to be in good agreement with results obtained from perturbation theory.Highly accurate relativistic wavefunctions are obtained, which is a first step towards nonperturbative calculations of the one-loop self-energy correction in hydrogen molecular ions.
