论文标题
用符号计精度解决多原子分子中的振动
Resolving Vibrations in a Polyatomic Molecule with Femtometer Precision
论文作者
论文摘要
我们使用时间分辨X射线吸收光谱法测量具有femtomper精度的分子振动。为了进行演示，拉曼过程激发了$ _ {1G} $模式的气相SF $ _6 $分子，幅度为$ \ \ \ 50 $ fm，这是由硫磺$ l_ {2,3} $ - edge探测的。映射极小的测量能量转移到内部距离需要了解多体ab intib仿真提供的电子贡献。我们的研究建立了核心水平光谱作为时间依赖分子结构计量学的精确工具。
We measure molecular vibrations with femtometer precision using time-resolved x-ray absorption spectroscopy. For a demonstration, a Raman process excites the A$_{1g}$ mode in gas-phase SF$_6$ molecules with an amplitude of $\approx50$ fm, which is probed by a time-delayed soft x-ray pulse at the sulfur $L_{2,3}$-edge. Mapping the extremely small measured energy shifts to internuclear distances requires an understanding of the electronic contributions provided by a many-body ab initio simulation. Our study establishes core-level spectroscopy as a precision tool for time-dependent molecular-structure metrology.
