薛定谔方程针对氢分子求解，其精度达到了前所未有的程度。
Schrödinger equation solved for the hydrogen molecule with unprecedented accuracy.
作者信息
Pachucki Krzysztof, Komasa Jacek
机构信息
Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland.
Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań, Poland.
出版信息
J Chem Phys. 2016 Apr 28;144(16):164306. doi: 10.1063/1.4948309.
The hydrogen molecule can be used for determination of physical constants, including the proton charge radius, and for improved tests of the hypothetical long range force between hadrons, which require a sufficiently accurate knowledge of the molecular levels. In this work, we perform the first step toward a significant improvement in theoretical predictions of H2 and solve the nonrelativistic Schrödinger equation to the unprecedented accuracy of 10(-12). We hope that it will inspire a parallel progress in the spectroscopy of the molecular hydrogen.
氢分子可用于确定物理常数，包括质子电荷半径，还可用于改进对强子间假设的长程力的测试，这需要对分子能级有足够精确的了解。在这项工作中，我们朝着显著改进H₂的理论预测迈出了第一步，将非相对论薛定谔方程求解到了前所未有的10⁻¹²精度。我们希望这将激发分子氢光谱学取得类似的进展。
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